2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

C12H13ClN4O — CID 110459429

IUPAC2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN4O/c1-8-5-11(15-12(18)7-14)17(16-8)10-4-2-3-9(13)6-10/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyBSNOINFRIUWDBN-UHFFFAOYSA-N
MW264.72 g/mol
LogP1.73
Rot. Bonds3

About 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide

2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (PubChem CID 110459429) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
PubChem CID110459429
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
SMILESCc1cc(NC(=O)CN)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C12H13ClN4O/c1-8-5-11(15-12(18)7-14)17(16-8)10-4-2-3-9(13)6-10/h2-6H,7,14H2,1H3,(H,15,18)
InChIKeyBSNOINFRIUWDBN-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide
CID 110452122
4-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]benzamide
CID 2352147
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-3-(2-fluorophenyl)propanamide
CID 55480987
5-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-fluorobenzamide
CID 55481154
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(2,4-dimethoxyphenyl)acetamide
CID 55480827
3-acetamido-3-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]propanamide
CID 55493282
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)acetamide
CID 55377351
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55870563
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]acetamide
CID 55481155
2-chloro-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4,5-difluorobenzamide
CID 55377836
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55543607
N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]-4-(methylsulfanylmethyl)benzamide
CID 55480086

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The IUPAC name of 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide (CID 110459429) is 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is Cc1cc(NC(=O)CN)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
The InChIKey is BSNOINFRIUWDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-8-5-11(15-12(18)7-14)17(16-8)10-4-2-3-9(13)6-10/h2-6H,7,14H2,1H3,(H,15,18).
What are the key properties of 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide?
2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide has a molecular weight of 264.72 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]acetamide is sourced from PubChem (CID 110459429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).