N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide

C17H19ClN4O2 — CID 849815

IUPACN-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-12(23)20-16-13(17(24)21-9-5-2-6-10-21)11-19-22(16)15-8-4-3-7-14(15)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,23)
InChIKeyNEBGDYKPBZRKCP-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.11
Rot. Bonds3

About N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide

N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide (PubChem CID 849815) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide
PubChem CID849815
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1Cl
InChIInChI=1S/C17H19ClN4O2/c1-12(23)20-16-13(17(24)21-9-5-2-6-10-21)11-19-22(16)15-8-4-3-7-14(15)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,23)
InChIKeyNEBGDYKPBZRKCP-UHFFFAOYSA-N
XLogP3.11
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Bay 73-6691
CID 135541419
2-((1-(3-Chlorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)thio)propanamide
CID 135398509
5-amino-1-(3-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 2578228
BAY 73-6691 racemate
CID 135495130
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
US11344549, Example 199
CID 165112359
US11344549, Example 201
CID 165112361
US11344549, Example 203
CID 165112363
US11344549, Example 208
CID 165112368
1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135465285
1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135399103

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide?
The IUPAC name of N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide (CID 849815) is N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide is CC(=O)Nc1c(C(=O)N2CCCCC2)cnn1-c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide?
The InChIKey is NEBGDYKPBZRKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-12(23)20-16-13(17(24)21-9-5-2-6-10-21)11-19-22(16)15-8-4-3-7-14(15)18/h3-4,7-8,11H,2,5-6,9-10H2,1H3,(H,20,23).
What are the key properties of N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide?
N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide has a molecular weight of 346.82 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-4-(piperidine-1-carbonyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 849815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).