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

C16H19ClN4O — CID 119442075

IUPAC3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CCNCC1
InChIInChI=1S/C16H19ClN4O/c1-21(11-6-8-18-9-7-11)16(22)15-10-14(19-20-15)12-4-2-3-5-13(12)17/h2-5,10-11,18H,6-9H2,1H3,(H,19,20)
InChIKeyLUWLOKURYMPEQU-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.55
Rot. Bonds3

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

3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 119442075) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID119442075
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CCNCC1
InChIInChI=1S/C16H19ClN4O/c1-21(11-6-8-18-9-7-11)16(22)15-10-14(19-20-15)12-4-2-3-5-13(12)17/h2-5,10-11,18H,6-9H2,1H3,(H,19,20)
InChIKeyLUWLOKURYMPEQU-UHFFFAOYSA-N
XLogP2.55
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
3-(4-fluorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119441233
[3-(2-chlorophenyl)-1H-pyrazol-5-yl]-piperazin-1-ylmethanone
CID 119401108
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
N-(1-aminopropan-2-yl)-3-(2-chlorophenyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119582352
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-piperidin-4-ylacetamide
CID 119442632
3-(2-chlorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1H-pyrazole-5-carboxamide
CID 120890243
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
N-[(1R,2R,3R)-2,3-dihydroxycyclopentyl]-3-(2-fluorophenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 110164943
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
2-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 43602173
3-[[3-(2-chlorophenyl)-1H-pyrazole-5-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoic acid
CID 124703427

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (CID 119442075) is 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is CN(C(=O)c1cc(-c2ccccc2Cl)n[nH]1)C1CCNCC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is LUWLOKURYMPEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-21(11-6-8-18-9-7-11)16(22)15-10-14(19-20-15)12-4-2-3-5-13(12)17/h2-5,10-11,18H,6-9H2,1H3,(H,19,20).
What are the key properties of 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 318.81 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-methyl-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 119442075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).