2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile

C24H23F2N5O — CID 38615630

IUPAC2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile
SMILESCC(C)c1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H23F2N5O/c1-16(2)23-20(15-28-31(23)18-8-6-17(25)7-9-18)24(32)30-12-10-29(11-13-30)22-5-3-4-21(26)19(22)14-27/h3-9,15-16H,10-13H2,1-2H3
InChIKeyFNFGFXXDSCTLPB-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.11
Rot. Bonds4

About 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile

2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile (PubChem CID 38615630) has the molecular formula C24H23F2N5O and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile
PubChem CID38615630
Molecular FormulaC24H23F2N5O
Molecular Weight435.48 g/mol
Exact Mass435.19
IUPAC Name2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile
SMILESCC(C)c1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C24H23F2N5O/c1-16(2)23-20(15-28-31(23)18-8-6-17(25)7-9-18)24(32)30-12-10-29(11-13-30)22-5-3-4-21(26)19(22)14-27/h3-9,15-16H,10-13H2,1-2H3
InChIKeyFNFGFXXDSCTLPB-UHFFFAOYSA-N
XLogP4.11
TPSA65.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55721063
2-[4-(2,4-difluorobenzoyl)piperazin-1-yl]-6-fluorobenzonitrile
CID 33284080
2-fluoro-6-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]benzonitrile
CID 38617731
1,4-diazepan-1-yl-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119416222
2-fluoro-6-[4-(5-propyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]benzonitrile
CID 91661012
1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
CID 31901327
2-fluoro-6-[4-(6-oxo-1H-pyridazine-3-carbonyl)piperazin-1-yl]benzonitrile
CID 38620442
2-fluoro-6-[4-(3-fluorobenzoyl)piperazin-1-yl]benzonitrile
CID 38618980
2-(4-fluorophenyl)-1-[4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 55657260
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 46583951
4-[4-[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55720927
(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99638797

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile?
The IUPAC name of 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile (CID 38615630) is 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile is CC(C)c1c(C(=O)N2CCN(c3cccc(F)c3C#N)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile?
The InChIKey is FNFGFXXDSCTLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O/c1-16(2)23-20(15-28-31(23)18-8-6-17(25)7-9-18)24(32)30-12-10-29(11-13-30)22-5-3-4-21(26)19(22)14-27/h3-9,15-16H,10-13H2,1-2H3.
What are the key properties of 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile?
2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile has a molecular weight of 435.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile is sourced from PubChem (CID 38615630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).