N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

C19H16N4O2 — CID 46107897

IUPACN-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccn(-c3ccc(C#N)cc3)n2)c1
InChIInChI=1S/C19H16N4O2/c1-25-17-4-2-3-15(11-17)12-19(24)21-18-9-10-23(22-18)16-7-5-14(13-20)6-8-16/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyLWLZSVVBUXIHSC-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.93
Rot. Bonds5

About N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide

N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (PubChem CID 46107897) has the molecular formula C19H16N4O2 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
PubChem CID46107897
Molecular FormulaC19H16N4O2
Molecular Weight332.36 g/mol
Exact Mass332.13
IUPAC NameN-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(CC(=O)Nc2ccn(-c3ccc(C#N)cc3)n2)c1
InChIInChI=1S/C19H16N4O2/c1-25-17-4-2-3-15(11-17)12-19(24)21-18-9-10-23(22-18)16-7-5-14(13-20)6-8-16/h2-11H,12H2,1H3,(H,21,22,24)
InChIKeyLWLZSVVBUXIHSC-UHFFFAOYSA-N
XLogP2.93
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide (CID 46107897) is N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is COc1cccc(CC(=O)Nc2ccn(-c3ccc(C#N)cc3)n2)c1.
What is the InChIKey of N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
The InChIKey is LWLZSVVBUXIHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2/c1-25-17-4-2-3-15(11-17)12-19(24)21-18-9-10-23(22-18)16-7-5-14(13-20)6-8-16/h2-11H,12H2,1H3,(H,21,22,24).
What are the key properties of N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide?
N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide has a molecular weight of 332.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyanophenyl)pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 46107897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).