Chemical ID: 4727465

Cn1c(c(cn1)CO)c2ccccc2
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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