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Chemical ID: 4727465
Chemical ID:
4727465
Name [?]:
(1-methyl-5-phenyl-pyrazol-4-yl)methanol
SMILES [?]:
Cn1c(c(cn1)CO)c2ccccc2
InChi [?]:
InChI=1/C11H12N2O/c1-13-11(10(8-14)7-12-13)9-5-3-2-4-6-9/h2-7,14H,8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,7,9,4,3,6,2,8/E:(3,4)(5,6)/rA:14nCNCCCNCOCCCCCC/rB:s1;s2;d3;s4;s2d5;s4;s7;s3;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H12N2O |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.08711 |
Area: | 357.689 |
Solvation: | -2.85512 |
Coulombic: | -21.8859 |
Bond Count [?]
All: | 15 |
Single: | 10 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 188.226 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 1.66 |
LogP (Chemaxon): | 1.23 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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