5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile

C36H34F2N10O2 — CID 165041227

IUPAC5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile
SMILESCC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cc(C#N)nn1C.Cc1cc(Cc2cc(C#N)nn2C)n(-c2ccc(F)cc2C(C)O)n1
InChIInChI=1S/C18H18FN5O.C18H16FN5O/c2*1-11-6-16(9-15-8-14(10-20)22-23(15)3)24(21-11)18-5-4-13(19)7-17(18)12(2)25/h4-8,12,25H,9H2,1-3H3;4-8H,9H2,1-3H3
InChIKeyODUIDYQAUUWUIX-UHFFFAOYSA-N
MW676.73 g/mol
LogP5.29
Rot. Bonds8

About 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile

5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile (PubChem CID 165041227) has the molecular formula C36H34F2N10O2 and a molecular weight of 676.73 g/mol. Its IUPAC name is 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile
PubChem CID165041227
Molecular FormulaC36H34F2N10O2
Molecular Weight676.73 g/mol
Exact Mass676.28
IUPAC Name5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile
SMILESCC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cc(C#N)nn1C.Cc1cc(Cc2cc(C#N)nn2C)n(-c2ccc(F)cc2C(C)O)n1
InChIInChI=1S/C18H18FN5O.C18H16FN5O/c2*1-11-6-16(9-15-8-14(10-20)22-23(15)3)24(21-11)18-5-4-13(19)7-17(18)12(2)25/h4-8,12,25H,9H2,1-3H3;4-8H,9H2,1-3H3
InChIKeyODUIDYQAUUWUIX-UHFFFAOYSA-N
XLogP5.29
TPSA156.16 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500676.73
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Analyze 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[1-(2,2-Difluoroethyl)pyrazol-4-yl]methyl]-1-[2-(1-ethoxyethenyl)-4-fluorophenyl]-3-(trifluoromethyl)pyrazole;1-[2-[5-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanone
CID 165041185
1-[2-[5-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-3-(trifluoromethyl)pyrazol-1-yl]-5-fluorophenyl]ethanone
CID 165108130
3-[2-[4-Fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile
CID 171529239
5-[2-[4-Fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazole-3-carbonyl]-1-methylpyrazole-3-carbonitrile
CID 171529474
Magnesium;carbanide;2-[5-(1-ethylpyrazole-4-carbonyl)-3-fluoropyrazol-1-yl]-5-fluorobenzaldehyde;(1-ethylpyrazol-4-yl)-[3-fluoro-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-5-yl]methanone;bromide
CID 164951142
[2-[5-[(4-Bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]methanol;methyl 2-[5-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-methylpyrazol-1-yl]-5-fluorobenzoate
CID 164974558
1-(2-Acetyl-4-fluorophenyl)-5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]pyrazole-4-carbonitrile;5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]-1-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-4-carbonitrile
CID 164982323
Magnesium;2-[5-(5-bromo-1-ethylpyrazole-4-carbonyl)pyrazol-1-yl]-5-fluorobenzaldehyde;(5-bromo-1-ethylpyrazol-4-yl)-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazol-3-yl]methanone;carbanide;bromide
CID 164989232
Magnesium;carbanide;3-[2-(4-fluoro-2-formylphenyl)pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile;3-[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]pyrazole-3-carbonyl]-1-methylpyrazole-5-carbonitrile;bromide
CID 164992240
1-[2-[5-[(5-Bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[(5-bromo-1-ethylpyrazol-4-yl)methyl]triazol-1-yl]-5-fluorophenyl]ethanone
CID 164994891
1-[2-[5-[[1-(Cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[[1-(cyclopropylmethyl)pyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
CID 164997644
1-[2-[5-[[1-(Cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanol;1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-3-methylpyrazol-1-yl]-5-fluorophenyl]ethanone
CID 165001812

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile?
The IUPAC name of 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile (CID 165041227) is 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile.
What is the SMILES notation for 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile?
The canonical SMILES for 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile is CC(=O)c1cc(F)ccc1-n1nc(C)cc1Cc1cc(C#N)nn1C.Cc1cc(Cc2cc(C#N)nn2C)n(-c2ccc(F)cc2C(C)O)n1.
What is the InChIKey of 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile?
The InChIKey is ODUIDYQAUUWUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O.C18H16FN5O/c2*1-11-6-16(9-15-8-14(10-20)22-23(15)3)24(21-11)18-5-4-13(19)7-17(18)12(2)25/h4-8,12,25H,9H2,1-3H3;4-8H,9H2,1-3H3.
What are the key properties of 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile?
5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile has a molecular weight of 676.73 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-acetyl-4-fluorophenyl)-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile;5-[[2-[4-fluoro-2-(1-hydroxyethyl)phenyl]-5-methylpyrazol-3-yl]methyl]-1-methylpyrazole-3-carbonitrile is sourced from PubChem (CID 165041227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).