1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide

C16H19FN4O — CID 119387105

IUPAC1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O/c1-11-15(16(22)20-13-6-8-18-9-7-13)10-19-21(11)14-4-2-12(17)3-5-14/h2-5,10,13,18H,6-9H2,1H3,(H,20,22)
InChIKeyAGUSKFGDHGHUKQ-UHFFFAOYSA-N
MW302.35 g/mol
LogP1.80
Rot. Bonds3

About 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide

1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide (PubChem CID 119387105) has the molecular formula C16H19FN4O and a molecular weight of 302.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
PubChem CID119387105
Molecular FormulaC16H19FN4O
Molecular Weight302.35 g/mol
Exact Mass302.15
IUPAC Name1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCNCC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C16H19FN4O/c1-11-15(16(22)20-13-6-8-18-9-7-13)10-19-21(11)14-4-2-12(17)3-5-14/h2-5,10,13,18H,6-9H2,1H3,(H,20,22)
InChIKeyAGUSKFGDHGHUKQ-UHFFFAOYSA-N
XLogP1.80
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119387104
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451537
5-methyl-1-phenyl-N-piperidin-3-ylpyrazole-4-carboxamide
CID 119427580
tert-butyl 4-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]piperidine-1-carboxylate
CID 52731094
1-(4-bromophenyl)-5-methyl-N-piperidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119426369
1-(4-bromophenyl)-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-5-methylpyrazole-4-carboxamide
CID 55959425
1-(4-fluorophenyl)-5-methyl-N-(2-piperazin-1-ylethyl)pyrazole-4-carboxamide
CID 119446091
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
1-(3-chlorophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451648
N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119476425
N-cyclohexyl-1-(4-methylphenyl)-5-piperidin-4-ylpyrazole-4-carboxamide
CID 20918586
1-(4-fluorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119461195

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide (CID 119387105) is 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide is Cc1c(C(=O)NC2CCNCC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
The InChIKey is AGUSKFGDHGHUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O/c1-11-15(16(22)20-13-6-8-18-9-7-13)10-19-21(11)14-4-2-12(17)3-5-14/h2-5,10,13,18H,6-9H2,1H3,(H,20,22).
What are the key properties of 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide?
1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide has a molecular weight of 302.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-methyl-N-piperidin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119387105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).