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

C13H13N5O2 — CID 104847822

IUPAC2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
SMILESCOc1cc(C#N)ccc1NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H13N5O2/c1-20-12-4-9(5-14)2-3-11(12)17-13(19)8-18-7-10(15)6-16-18/h2-4,6-7H,8,15H2,1H3,(H,17,19)
InChIKeyQMGPVYVUEMGQLI-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.98
Rot. Bonds4

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

2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide (PubChem CID 104847822) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
PubChem CID104847822
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
SMILESCOc1cc(C#N)ccc1NC(=O)Cn1cc(N)cn1
InChIInChI=1S/C13H13N5O2/c1-20-12-4-9(5-14)2-3-11(12)17-13(19)8-18-7-10(15)6-16-18/h2-4,6-7H,8,15H2,1H3,(H,17,19)
InChIKeyQMGPVYVUEMGQLI-UHFFFAOYSA-N
XLogP0.98
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
CID 104854981
2-(4-aminopyrazol-1-yl)-N-(2,5-dimethoxyphenyl)acetamide
CID 43445334
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
5-(4-cyano-2-methoxyanilino)-5-oxopentanoic acid
CID 104833874
2-(4-aminopyrazol-1-yl)-N-[(3-cyanophenyl)methyl]acetamide
CID 61102362
N-(4-cyano-2-methoxyphenyl)-1-ethyl-5-methylpyrazole-4-carboxamide
CID 154780004
N-(4-cyano-2-methoxyphenyl)-3-propoxypropanamide
CID 104849122
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide (CID 104847822) is 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide is COc1cc(C#N)ccc1NC(=O)Cn1cc(N)cn1.
What is the InChIKey of 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
The InChIKey is QMGPVYVUEMGQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-20-12-4-9(5-14)2-3-11(12)17-13(19)8-18-7-10(15)6-16-18/h2-4,6-7H,8,15H2,1H3,(H,17,19).
What are the key properties of 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide?
2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide has a molecular weight of 271.28 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide is sourced from PubChem (CID 104847822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).