1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

C23H23FN4O2 — CID 37079580

IUPAC1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-16-20(15-25-28(16)18-11-9-17(24)10-12-18)22(29)26-21-8-4-3-7-19(21)23(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)
InChIKeyFVHVESDDJJONAI-UHFFFAOYSA-N
MW406.46 g/mol
LogP4.20
Rot. Bonds4

About 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (PubChem CID 37079580) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
PubChem CID37079580
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H23FN4O2/c1-16-20(15-25-28(16)18-11-9-17(24)10-12-18)22(29)26-21-8-4-3-7-19(21)23(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29)
InChIKeyFVHVESDDJJONAI-UHFFFAOYSA-N
XLogP4.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
[4-(4-fluorophenyl)piperazin-1-yl]-(5-methyl-1-phenylpyrazol-4-yl)methanone
CID 90602016
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
1-(4-fluorophenyl)-5-methyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 38740973
1-(4-fluorophenyl)-5-methyl-N-[3-(piperidin-1-ylmethyl)phenyl]pyrazole-4-carboxamide
CID 34453775
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905415
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
1-(4-fluorophenyl)-5-methyl-N-pyridazin-4-ylpyrazole-4-carboxamide
CID 45255298
1-N,4-N-bis[2-(azepane-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 4938376
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 134005041
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide (CID 37079580) is 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is FVHVESDDJJONAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c1-16-20(15-25-28(16)18-11-9-17(24)10-12-18)22(29)26-21-8-4-3-7-19(21)23(30)27-13-5-2-6-14-27/h3-4,7-12,15H,2,5-6,13-14H2,1H3,(H,26,29).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 406.46 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-[2-(piperidine-1-carbonyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 37079580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).