2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide

C13H16N4O — CID 102805405

IUPAC2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
SMILESCc1nn(C)cc1NCC(=O)Nc1ccccc1
InChIInChI=1S/C13H16N4O/c1-10-12(9-17(2)16-10)14-8-13(18)15-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3,(H,15,18)
InChIKeyZCDQLEONVNAWSS-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.78
Rot. Bonds4

About 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide

2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide (PubChem CID 102805405) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
PubChem CID102805405
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide
SMILESCc1nn(C)cc1NCC(=O)Nc1ccccc1
InChIInChI=1S/C13H16N4O/c1-10-12(9-17(2)16-10)14-8-13(18)15-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3,(H,15,18)
InChIKeyZCDQLEONVNAWSS-UHFFFAOYSA-N
XLogP1.78
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.78
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
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-phenylacetamide
CID 107462698
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-(2-fluorophenyl)acetamide
CID 102805391
2-[(3-ethyl-1-methylpyrazol-4-yl)amino]-N-(4-methylphenyl)acetamide
CID 107462786
2-anilino-N-(1-methylpyrazol-4-yl)acetamide
CID 54927465
2-[(1,3-dimethylpyrazol-4-yl)methyl-methylamino]-N-phenylacetamide
CID 17378441
2-amino-N-(1,3-dimethylpyrazol-4-yl)-4-phenylbutanamide
CID 102805533
N-phenyl-2-(2-propan-2-ylanilino)acetamide
CID 7636862
N-cycloheptyl-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805314
2-(2-acetylanilino)-N-phenylacetamide
CID 9103782
2-(2-methoxyanilino)-N-phenylacetamide
CID 7636827
N-(1,3-dimethylpyrazol-4-yl)-2-sulfanylacetamide
CID 102807672

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide?
The IUPAC name of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide (CID 102805405) is 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide.
What is the SMILES notation for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide?
The canonical SMILES for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide is Cc1nn(C)cc1NCC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide?
The InChIKey is ZCDQLEONVNAWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-12(9-17(2)16-10)14-8-13(18)15-11-6-4-3-5-7-11/h3-7,9,14H,8H2,1-2H3,(H,15,18).
What are the key properties of 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide?
2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide has a molecular weight of 244.30 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethylpyrazol-4-yl)amino]-N-phenylacetamide is sourced from PubChem (CID 102805405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).