2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide

C12H14N4O2 — CID 55024845

IUPAC2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc(N)n2)cc1
InChIInChI=1S/C12H14N4O2/c1-18-10-4-2-9(3-5-10)14-12(17)8-16-7-6-11(13)15-16/h2-7H,8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyGLBAERHUXCUHEF-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.11
Rot. Bonds4

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

2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide (PubChem CID 55024845) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
PubChem CID55024845
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2ccc(N)n2)cc1
InChIInChI=1S/C12H14N4O2/c1-18-10-4-2-9(3-5-10)14-12(17)8-16-7-6-11(13)15-16/h2-7H,8H2,1H3,(H2,13,15)(H,14,17)
InChIKeyGLBAERHUXCUHEF-UHFFFAOYSA-N
XLogP1.11
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2,4-triazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 60911192
2-(3-tert-butylpyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 122142305
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
2-(3-aminopyrazol-1-yl)-N-[4-(dimethylamino)phenyl]acetamide
CID 62102860
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
methyl 2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]benzoate
CID 62100724
2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 62102210
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(3-amino-2-oxo-1-pyridinyl)-N-(4-methoxyphenyl)acetamide
CID 62102933
2-(3-aminopyrazol-1-yl)-N-quinolin-3-ylacetamide
CID 62112556
methyl 4-[[2-(3-aminopyrazol-1-yl)acetyl]amino]-3-methylbenzoate
CID 62112057
1-[1-(4-methoxyanilino)ethenyl]pyrazol-3-amine
CID 166956550

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide (CID 55024845) is 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cn2ccc(N)n2)cc1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
The InChIKey is GLBAERHUXCUHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-10-4-2-9(3-5-10)14-12(17)8-16-7-6-11(13)15-16/h2-7H,8H2,1H3,(H2,13,15)(H,14,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide has a molecular weight of 246.27 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 55024845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).