1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

C25H29FN4O — CID 4046396

IUPAC1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3F)cc2C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C25H29FN4O/c1-18-10-11-19(2)23(16-18)30-24(17-22(28-30)20-8-4-5-9-21(20)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31)
InChIKeyJXCGINNEVUFCMQ-UHFFFAOYSA-N
MW420.53 g/mol
LogP4.51
Rot. Bonds6

About 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide

1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (PubChem CID 4046396) has the molecular formula C25H29FN4O and a molecular weight of 420.53 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
PubChem CID4046396
Molecular FormulaC25H29FN4O
Molecular Weight420.53 g/mol
Exact Mass420.23
IUPAC Name1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
SMILESCc1ccc(C)c(-n2nc(-c3ccccc3F)cc2C(=O)NCCN2CCCCC2)c1
InChIInChI=1S/C25H29FN4O/c1-18-10-11-19(2)23(16-18)30-24(17-22(28-30)20-8-4-5-9-21(20)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31)
InChIKeyJXCGINNEVUFCMQ-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.53
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 3904100
3-(2-fluorophenyl)-1-(3-nitrophenyl)-N-(2-pyrrolidin-1-ylethyl)pyrazole-5-carboxamide
CID 4310575
3-(2-chlorophenyl)-1-(2,4-dimethylphenyl)-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 4527273
[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]-(4-ethylpiperazin-1-yl)methanone
CID 3971984
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-5-carboxamide
CID 42754871
3-(2-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 42759423
ethyl 1-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carbonyl]piperidine-4-carboxylate
CID 3473710
1-(2,5-dimethylphenyl)-3-(1-methylpyrrol-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 4297341
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-yl]methanone
CID 7283089
1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 42758968
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 812149

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide (CID 4046396) is 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is Cc1ccc(C)c(-n2nc(-c3ccccc3F)cc2C(=O)NCCN2CCCCC2)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
The InChIKey is JXCGINNEVUFCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O/c1-18-10-11-19(2)23(16-18)30-24(17-22(28-30)20-8-4-5-9-21(20)26)25(31)27-12-15-29-13-6-3-7-14-29/h4-5,8-11,16-17H,3,6-7,12-15H2,1-2H3,(H,27,31).
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide?
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide has a molecular weight of 420.53 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4046396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).