3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

C15H17ClN4O — CID 119387033

IUPAC3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H17ClN4O/c16-12-4-2-1-3-11(12)13-9-14(20-19-13)15(21)18-10-5-7-17-8-6-10/h1-4,9-10,17H,5-8H2,(H,18,21)(H,19,20)
InChIKeyMYJMKJKZFTYTOY-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.21
Rot. Bonds3

About 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 119387033) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID119387033
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCNCC1)c1cc(-c2ccccc2Cl)n[nH]1
InChIInChI=1S/C15H17ClN4O/c16-12-4-2-1-3-11(12)13-9-14(20-19-13)15(21)18-10-5-7-17-8-6-10/h1-4,9-10,17H,5-8H2,(H,18,21)(H,19,20)
InChIKeyMYJMKJKZFTYTOY-UHFFFAOYSA-N
XLogP2.21
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 167978791
3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119442075
3-(2-chlorophenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]-1H-pyrazole-5-carboxamide
CID 167769135
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
3-(2-chlorophenyl)-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 119390437
3-(2-chlorophenyl)-N-[(4,4-difluorocyclohexyl)methyl]-1H-pyrazole-5-carboxamide
CID 138992310
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
3-(2-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 120890243
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-chlorophenyl)-1H-pyrazole-5-carboxamide;hydrochloride
CID 119573258
3-(2-chlorophenyl)-N'-pyrimidin-2-yl-1H-pyrazole-5-carbohydrazide
CID 78862068
2-(2-chlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119388216
3-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-1H-pyrazole-5-carboxamide
CID 78860717

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (CID 119387033) is 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is O=C(NC1CCNCC1)c1cc(-c2ccccc2Cl)n[nH]1.
What is the InChIKey of 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is MYJMKJKZFTYTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-4-2-1-3-11(12)13-9-14(20-19-13)15(21)18-10-5-7-17-8-6-10/h1-4,9-10,17H,5-8H2,(H,18,21)(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119387033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).