Chemical ID: 3992426

c1ccc(cc1)c2c(cn(n2)c3ccccc3)CO
Chemical ID:
3992426
Name [?]:
(1,3-diphenylpyrazol-4-yl)methanol
SMILES [?]:
c1ccc(cc1)c2c(cn(n2)c3ccccc3)CO
InChi [?]:
InChI=1/C16H14N2O/c19-12-14-11-18(15-9-5-2-6-10-15)17-16(14)13-7-3-1-4-8-13/h1-11,19H,12H2
InChi Info:
AuxInfo=1/0/N:1,15,2,6,14,16,3,5,13,17,9,18,4,8,12,7,11,10,19/E:(3,4)(5,6)(7,8)(9,10)/rA:19nCCCCCCCCCNNCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s8;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H14N2O
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:8.27362
Area:445.214
Solvation:-2.85672
Coulombic:-24.0273
Bond Count [?]
All:21
Single:13
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:250.295
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.13
LogP (Chemaxon):3.55

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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