Chemical ID: 4981239

COc1cccc(c1)c2cc([nH]n2)N
Chemical ID:
4981239
Name [?]:
5-(3-methoxyphenyl)-2H-pyrazol-3-amine
SMILES [?]:
COc1cccc(c1)c2cc([nH]n2)N
InChi [?]:
InChI=1/C10H11N3O/c1-14-8-4-2-3-7(5-8)9-6-10(11)13-12-9/h2-6H,1H3,(H3,11,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,10,7,3,9,11,14,13,12,2/rA:14nCOCCCCCCCCCNNN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d9s12;s11;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H11N3O
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:5.95357
Area:363.599
Solvation:-3.13641
Coulombic:-33.362
Bond Count [?]
All:15
Single:10
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:189.214
H-Bond Donors:2
H-Bond Acceptors:2
XLogP:2.24
LogP (Chemaxon):1.36

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue