2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C24H21F3N6O — CID 55607525

IUPAC2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1
InChIInChI=1S/C24H21F3N6O/c25-24(26,27)18-4-1-5-19(13-18)33-21(16-6-7-16)20(15-30-33)23(34)32-11-9-31(10-12-32)22-17(14-28)3-2-8-29-22/h1-5,8,13,15-16H,6-7,9-12H2
InChIKeyWHOBGCPTKAHKAT-UHFFFAOYSA-N
MW466.47 g/mol
LogP4.00
Rot. Bonds4

About 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 55607525) has the molecular formula C24H21F3N6O and a molecular weight of 466.47 g/mol. Its IUPAC name is 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID55607525
Molecular FormulaC24H21F3N6O
Molecular Weight466.47 g/mol
Exact Mass466.17
IUPAC Name2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1
InChIInChI=1S/C24H21F3N6O/c25-24(26,27)18-4-1-5-19(13-18)33-21(16-6-7-16)20(15-30-33)23(34)32-11-9-31(10-12-32)22-17(14-28)3-2-8-29-22/h1-5,8,13,15-16H,6-7,9-12H2
InChIKeyWHOBGCPTKAHKAT-UHFFFAOYSA-N
XLogP4.00
TPSA78.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 55607525) is 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCN(C(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C2CC2)CC1.
What is the InChIKey of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is WHOBGCPTKAHKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N6O/c25-24(26,27)18-4-1-5-19(13-18)33-21(16-6-7-16)20(15-30-33)23(34)32-11-9-31(10-12-32)22-17(14-28)3-2-8-29-22/h1-5,8,13,15-16H,6-7,9-12H2.
What are the key properties of 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 466.47 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-cyclopropyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55607525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).