1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

C16H18ClFN4O — CID 146201949

IUPAC1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccn(-c3ccc(Cl)c(F)c3)n2)CC1
InChIInChI=1S/C16H18ClFN4O/c1-21-7-4-11(5-8-21)19-16(23)15-6-9-22(20-15)12-2-3-13(17)14(18)10-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,19,23)
InChIKeyZYXYYWQITPHXPB-UHFFFAOYSA-N
MW336.80 g/mol
LogP2.49
Rot. Bonds3

About 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide

1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (PubChem CID 146201949) has the molecular formula C16H18ClFN4O and a molecular weight of 336.80 g/mol. Its IUPAC name is 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
PubChem CID146201949
Molecular FormulaC16H18ClFN4O
Molecular Weight336.80 g/mol
Exact Mass336.12
IUPAC Name1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
SMILESCN1CCC(NC(=O)c2ccn(-c3ccc(Cl)c(F)c3)n2)CC1
InChIInChI=1S/C16H18ClFN4O/c1-21-7-4-11(5-8-21)19-16(23)15-6-9-22(20-15)12-2-3-13(17)14(18)10-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,19,23)
InChIKeyZYXYYWQITPHXPB-UHFFFAOYSA-N
XLogP2.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.80
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
N-cyclooctyl-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38701604
1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 136578301
1-[(4-chloro-3-methylphenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4865245
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
1-[(4-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 4774524
N-[1-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]-5-cyclopropyl-1-methylpyrazole-4-carboxamide
CID 138996050
6-amino-3-chloro-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 62155799
N-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993626
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
CID 51078940
1-(4-fluorophenyl)-N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]pyrazole-3-carboxamide
CID 95137538
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
CID 138055821

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide (CID 146201949) is 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is CN1CCC(NC(=O)c2ccn(-c3ccc(Cl)c(F)c3)n2)CC1.
What is the InChIKey of 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is ZYXYYWQITPHXPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O/c1-21-7-4-11(5-8-21)19-16(23)15-6-9-22(20-15)12-2-3-13(17)14(18)10-12/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,19,23).
What are the key properties of 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide?
1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 336.80 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-fluorophenyl)-N-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 146201949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).