(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

C17H21FN4O — CID 24790221

IUPAC(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1
InChIInChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)17(23)22-9-3-4-15(11-22)19-14-7-5-13(18)6-8-14/h5-8,10,15,19H,3-4,9,11H2,1-2H3
InChIKeyJZKHEQNVPMKGTA-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.58
Rot. Bonds3

About (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone

(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (PubChem CID 24790221) has the molecular formula C17H21FN4O and a molecular weight of 316.38 g/mol. Its IUPAC name is (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
PubChem CID24790221
Molecular FormulaC17H21FN4O
Molecular Weight316.38 g/mol
Exact Mass316.17
IUPAC Name(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1
InChIInChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)17(23)22-9-3-4-15(11-22)19-14-7-5-13(18)6-8-14/h5-8,10,15,19H,3-4,9,11H2,1-2H3
InChIKeyJZKHEQNVPMKGTA-UHFFFAOYSA-N
XLogP2.58
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-N-[4-(piperidine-1-sulfonyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 16122506
N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide
CID 135319024
N5-(4-methylphenyl)-1-benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxamide
CID 2744532
Zolenzepine
CID 3086085
Ab-chfupyca
CID 122213879
1-(3-{[(2S)-2-aminopropanamido]methyl}phenyl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 24962989
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
N-(4-acetamidophenyl)-2-methylpyrazole-3-carboxamide
CID 747516
1-(tert-butyl)-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 2747319
N-(4-fluorobenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015293
[4-(2-Fluorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6467697
N-(1-benzylpiperidin-4-yl)-2-methylpyrazole-3-carboxamide
CID 6468083

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone (CID 24790221) is (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1.
What is the InChIKey of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
The InChIKey is JZKHEQNVPMKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O/c1-12-10-16(21(2)20-12)17(23)22-9-3-4-15(11-22)19-14-7-5-13(18)6-8-14/h5-8,10,15,19H,3-4,9,11H2,1-2H3.
What are the key properties of (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone?
(2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone has a molecular weight of 316.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylpyrazol-3-yl)-[3-(4-fluoroanilino)piperidin-1-yl]methanone is sourced from PubChem (CID 24790221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).