N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide

C13H12N4O2 — CID 104854981

IUPACN-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
SMILESCOc1cc(C#N)ccc1NC(=O)Cn1cccn1
InChIInChI=1S/C13H12N4O2/c1-19-12-7-10(8-14)3-4-11(12)16-13(18)9-17-6-2-5-15-17/h2-7H,9H2,1H3,(H,16,18)
InChIKeyYLCYIOZQRQDBQP-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.40
Rot. Bonds4

About N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide

N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide (PubChem CID 104854981) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
PubChem CID104854981
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC NameN-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide
SMILESCOc1cc(C#N)ccc1NC(=O)Cn1cccn1
InChIInChI=1S/C13H12N4O2/c1-19-12-7-10(8-14)3-4-11(12)16-13(18)9-17-6-2-5-15-17/h2-7H,9H2,1H3,(H,16,18)
InChIKeyYLCYIOZQRQDBQP-UHFFFAOYSA-N
XLogP1.40
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-aminopyrazol-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104847822
N-(4-cyano-2-methoxyphenyl)-2-phenylacetamide
CID 104848948
3-(4-cyano-2-methoxyanilino)-3-oxopropanoic acid
CID 104850039
2-(4-aminopiperidin-1-yl)-N-(4-cyano-2-methoxyphenyl)acetamide
CID 104848882
N-(4-cyano-2-methoxyphenyl)-3-sulfanylpropanamide
CID 107035018
N-(4-cyano-2-methoxyphenyl)-2-methylsulfonylacetamide
CID 104849054
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)-5-oxopentanoic acid
CID 104833874
3-(4-cyano-2-methoxyphenyl)-1,1-diethylurea
CID 104844636
N-(4-cyano-2-methoxyphenyl)-2,2-dimethylbutanamide
CID 113460379
5-(4-cyano-2-methoxyanilino)-3,3-dimethyl-5-oxopentanoic acid
CID 104833873

Frequently Asked Questions

What is the IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide (CID 104854981) is N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide is COc1cc(C#N)ccc1NC(=O)Cn1cccn1.
What is the InChIKey of N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide?
The InChIKey is YLCYIOZQRQDBQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-19-12-7-10(8-14)3-4-11(12)16-13(18)9-17-6-2-5-15-17/h2-7H,9H2,1H3,(H,16,18).
What are the key properties of N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide?
N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide has a molecular weight of 256.27 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-2-methoxyphenyl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 104854981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).