1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide

C19H23FN4O2 — CID 31901327

IUPAC1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESCC(C)c1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-12(2)17-16(11-22-24(17)15-5-3-14(20)4-6-15)19(26)23-9-7-13(8-10-23)18(21)25/h3-6,11-13H,7-10H2,1-2H3,(H2,21,25)
InChIKeyZCDIYTFSZKYJMX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.47
Rot. Bonds4

About 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide

1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 31901327) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID31901327
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESCC(C)c1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C19H23FN4O2/c1-12(2)17-16(11-22-24(17)15-5-3-14(20)4-6-15)19(26)23-9-7-13(8-10-23)18(21)25/h3-6,11-13H,7-10H2,1-2H3,(H2,21,25)
InChIKeyZCDIYTFSZKYJMX-UHFFFAOYSA-N
XLogP2.47
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylaminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119646121
(3S)-1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 99638797
1,4-diazepan-1-yl-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 119416222
[4-(1-aminoethyl)piperidin-1-yl]-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methanone
CID 119517949
(2,2-dimethylmorpholin-4-yl)-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanone
CID 86981283
2-(4-fluorophenyl)-1-[4-[1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 55657260
1-[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 119166052
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46454828
ethyl 1-[1-[4-(4-fluorophenyl)-5-methylpyrimidin-2-yl]-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxylate
CID 26326133
4-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55721063
1-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-N-propylpiperidine-4-carboxamide
CID 134053554
2-fluoro-6-[4-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperazin-1-yl]benzonitrile
CID 38615630

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide (CID 31901327) is 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide is CC(C)c1c(C(=O)N2CCC(C(N)=O)CC2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is ZCDIYTFSZKYJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-12(2)17-16(11-22-24(17)15-5-3-14(20)4-6-15)19(26)23-9-7-13(8-10-23)18(21)25/h3-6,11-13H,7-10H2,1-2H3,(H2,21,25).
What are the key properties of 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide?
1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 31901327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).