1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide

C16H17ClN4O2 — CID 138992034

IUPAC1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN4O2/c1-10-6-15(18-16(23)12-8-20(9-12)11(2)22)21(19-10)14-5-3-4-13(17)7-14/h3-7,12H,8-9H2,1-2H3,(H,18,23)
InChIKeyCYDSRGDSJLEHSK-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.25
Rot. Bonds3

About 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide

1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide (PubChem CID 138992034) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
PubChem CID138992034
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide
SMILESCC(=O)N1CC(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)C1
InChIInChI=1S/C16H17ClN4O2/c1-10-6-15(18-16(23)12-8-20(9-12)11(2)22)21(19-10)14-5-3-4-13(17)7-14/h3-7,12H,8-9H2,1-2H3,(H,18,23)
InChIKeyCYDSRGDSJLEHSK-UHFFFAOYSA-N
XLogP2.25
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
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N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 55480745
1-(benzenesulfonyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]piperidine-3-carboxamide
CID 55668435
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 55633108
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110459429
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide
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5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 27477182
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide (CID 138992034) is 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide is CC(=O)N1CC(C(=O)Nc2cc(C)nn2-c2cccc(Cl)c2)C1.
What is the InChIKey of 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide?
The InChIKey is CYDSRGDSJLEHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-10-6-15(18-16(23)12-8-20(9-12)11(2)22)21(19-10)14-5-3-4-13(17)7-14/h3-7,12H,8-9H2,1-2H3,(H,18,23).
What are the key properties of 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide?
1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]azetidine-3-carboxamide is sourced from PubChem (CID 138992034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).