N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide

C12H13ClN4O — CID 79779586

IUPACN-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
SMILESCn1ccc(NCC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-17-7-6-11(16-17)14-8-12(18)15-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,16)(H,15,18)
InChIKeyOJPIPKUXHKHDSP-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.12
Rot. Bonds4

About N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide

N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide (PubChem CID 79779586) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
PubChem CID79779586
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC NameN-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide
SMILESCn1ccc(NCC(=O)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H13ClN4O/c1-17-7-6-11(16-17)14-8-12(18)15-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,16)(H,15,18)
InChIKeyOJPIPKUXHKHDSP-UHFFFAOYSA-N
XLogP2.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805280
N-(4-acetamidophenyl)-2-(4-chloroanilino)acetamide
CID 2604426
N-butan-2-yl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779691
ethyl 2-[(1-methylpyrazol-3-yl)amino]acetate
CID 79778560
2-[(1-methylpyrazol-3-yl)amino]-N-pentan-2-ylacetamide
CID 79778666
N-butyl-2-[(1-methylpyrazol-3-yl)amino]acetamide
CID 79779696
N-(4-chlorophenyl)-2-(3,4-dichloroanilino)acetamide
CID 29294726
N-(4-chlorophenyl)-2-(2,2-dimethylbutylamino)acetamide
CID 103698697
2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
CID 91444715
N-(4-chlorophenyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]acetamide
CID 86804923
N-(4-chlorophenyl)-2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]amino]acetamide
CID 133284003
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
CID 7638240

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide (CID 79779586) is N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide is Cn1ccc(NCC(=O)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide?
The InChIKey is OJPIPKUXHKHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-17-7-6-11(16-17)14-8-12(18)15-10-4-2-9(13)3-5-10/h2-7H,8H2,1H3,(H,14,16)(H,15,18).
What are the key properties of N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide?
N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide has a molecular weight of 264.72 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[(1-methylpyrazol-3-yl)amino]acetamide is sourced from PubChem (CID 79779586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).