2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide

C12H13FN4O — CID 62102678

IUPAC2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccc(N)n2)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-8-2-3-10(9(13)6-8)15-12(18)7-17-5-4-11(14)16-17/h2-6H,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyWKNYZMQGEYPXMW-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.55
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide (PubChem CID 62102678) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
PubChem CID62102678
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)Cn2ccc(N)n2)c(F)c1
InChIInChI=1S/C12H13FN4O/c1-8-2-3-10(9(13)6-8)15-12(18)7-17-5-4-11(14)16-17/h2-6H,7H2,1H3,(H2,14,16)(H,15,18)
InChIKeyWKNYZMQGEYPXMW-UHFFFAOYSA-N
XLogP1.55
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
CID 62112057
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide
CID 83081539
methyl 1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]triazole-4-carboxylate
CID 122241395
4-methyl-2-[[2-(3-methylpyrazol-1-yl)acetyl]amino]benzamide
CID 166326474
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316767
N-(4-chloro-2-fluorophenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26696400

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide (CID 62102678) is 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide is Cc1ccc(NC(=O)Cn2ccc(N)n2)c(F)c1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
The InChIKey is WKNYZMQGEYPXMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8-2-3-10(9(13)6-8)15-12(18)7-17-5-4-11(14)16-17/h2-6H,7H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide has a molecular weight of 248.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide is sourced from PubChem (CID 62102678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).