1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide

C19H23ClN4O3 — CID 126774750

IUPAC1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)C1
InChIInChI=1S/C19H23ClN4O3/c1-13(26)23-8-2-3-15(12-23)19(27)21-18-11-17(22-24(18)9-10-25)14-4-6-16(20)7-5-14/h4-7,11,15,25H,2-3,8-10,12H2,1H3,(H,21,27)
InChIKeyXHKAIBOTVZOTAE-UHFFFAOYSA-N
MW390.87 g/mol
LogP2.39
Rot. Bonds5

About 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide

1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide (PubChem CID 126774750) has the molecular formula C19H23ClN4O3 and a molecular weight of 390.87 g/mol. Its IUPAC name is 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide
PubChem CID126774750
Molecular FormulaC19H23ClN4O3
Molecular Weight390.87 g/mol
Exact Mass390.15
IUPAC Name1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide
SMILESCC(=O)N1CCCC(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)C1
InChIInChI=1S/C19H23ClN4O3/c1-13(26)23-8-2-3-15(12-23)19(27)21-18-11-17(22-24(18)9-10-25)14-4-6-16(20)7-5-14/h4-7,11,15,25H,2-3,8-10,12H2,1H3,(H,21,27)
InChIKeyXHKAIBOTVZOTAE-UHFFFAOYSA-N
XLogP2.39
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(4-chloro-2-methylphenyl)piperidine-3-carboxamide
CID 47118469
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
1-[[(3R)-1-acetylpiperidine-3-carbonyl]amino]-3-(4-chlorophenyl)thiourea
CID 9317527
cis-(1S,3R)-N-[1-(2-aminoethyl)-3-phenylpyrazol-5-yl]-3-methylcyclohexane-1-carboxamide
CID 178156210
ethyl (3S)-3-[[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]piperidine-1-carboxylate
CID 39991255
1-acetyl-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide
CID 110686145
ethyl 1-[2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]acetyl]piperidine-3-carboxylate
CID 15997395
(3S)-1-acetyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 9039260
1-(4-chlorobenzoyl)-N-(2,4,6-trimethyl-3-pyridinyl)piperidine-3-carboxamide
CID 78838219
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 47995274
1-(4-chlorobenzoyl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 112805753
1-acetyl-N-(4-bromo-2-methylphenyl)piperidine-3-carboxamide
CID 110686178

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide (CID 126774750) is 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide is CC(=O)N1CCCC(C(=O)Nc2cc(-c3ccc(Cl)cc3)nn2CCO)C1.
What is the InChIKey of 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide?
The InChIKey is XHKAIBOTVZOTAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O3/c1-13(26)23-8-2-3-15(12-23)19(27)21-18-11-17(22-24(18)9-10-25)14-4-6-16(20)7-5-14/h4-7,11,15,25H,2-3,8-10,12H2,1H3,(H,21,27).
What are the key properties of 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide?
1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide has a molecular weight of 390.87 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-(4-chlorophenyl)-1-(2-hydroxyethyl)pyrazol-5-yl]piperidine-3-carboxamide is sourced from PubChem (CID 126774750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).