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Chemical ID: 4981239
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
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Experimental Annotations
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Descriptor Annotations
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