1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide

C17H19FN4O2 — CID 110676727

IUPAC1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccccc1F
InChIInChI=1S/C17H19FN4O2/c1-11-10-14(20-22(11)15-5-3-2-4-13(15)18)17(24)21-8-6-12(7-9-21)16(19)23/h2-5,10,12H,6-9H2,1H3,(H2,19,23)
InChIKeyZPMJSMAAXONFKS-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.66
Rot. Bonds3

About 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide

1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide (PubChem CID 110676727) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
PubChem CID110676727
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
SMILESCc1cc(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccccc1F
InChIInChI=1S/C17H19FN4O2/c1-11-10-14(20-22(11)15-5-3-2-4-13(15)18)17(24)21-8-6-12(7-9-21)16(19)23/h2-5,10,12H,6-9H2,1H3,(H2,19,23)
InChIKeyZPMJSMAAXONFKS-UHFFFAOYSA-N
XLogP1.66
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(4aS,7aR)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrol-6-yl]-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 167743293
[4-(2,2-dimethylpropyl)piperazin-1-yl]-[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]methanone
CID 110629418
[5-amino-1-(2-fluorophenyl)pyrazol-3-yl]-(azepan-1-yl)methanone
CID 82188870
1-(1-ethyl-5-methylpyrazole-3-carbonyl)piperidine-4-carboxamide
CID 110681708
3-[4-(aminomethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one
CID 119423489
3-[4-(1-aminoethyl)piperidine-1-carbonyl]-1-(2-fluorophenyl)-6-methylpyridazin-4-one;hydrochloride
CID 119519008
[1-(2-fluorophenyl)-5-methylpyrazol-3-yl]-[4-(3-methoxypropyl)-3,5-dimethylpiperazin-1-yl]methanone
CID 110608561
1-(2-fluorophenyl)-3-[4-[(R)-hydroxy(phenyl)methyl]piperidine-1-carbonyl]-6-methylpyridazin-4-one
CID 31059497
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]methanone
CID 110373209
1-[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxylic acid
CID 120512359
[4-(1-aminoethyl)piperidin-1-yl]-(5-methyl-1-phenylpyrazol-3-yl)methanone;hydrochloride
CID 119518631
1-[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxamide
CID 110678672

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide (CID 110676727) is 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide is Cc1cc(C(=O)N2CCC(C(N)=O)CC2)nn1-c1ccccc1F.
What is the InChIKey of 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZPMJSMAAXONFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-10-14(20-22(11)15-5-3-2-4-13(15)18)17(24)21-8-6-12(7-9-21)16(19)23/h2-5,10,12H,6-9H2,1H3,(H2,19,23).
What are the key properties of 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide?
1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-5-methylpyrazole-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 110676727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).