N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide

C15H13ClN4O2 — CID 13127638

IUPACN-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C#N)cnn1-c1ccc(C)cc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-9-4-5-14(13(16)6-9)20-15(12(7-17)8-18-20)19(10(2)21)11(3)22/h4-6,8H,1-3H3
InChIKeyNSEYLOSIJHBZDP-UHFFFAOYSA-N
MW316.75 g/mol
LogP2.61
Rot. Bonds2

About N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide

N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide (PubChem CID 13127638) has the molecular formula C15H13ClN4O2 and a molecular weight of 316.75 g/mol. Its IUPAC name is N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide
PubChem CID13127638
Molecular FormulaC15H13ClN4O2
Molecular Weight316.75 g/mol
Exact Mass316.07
IUPAC NameN-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide
SMILESCC(=O)N(C(C)=O)c1c(C#N)cnn1-c1ccc(C)cc1Cl
InChIInChI=1S/C15H13ClN4O2/c1-9-4-5-14(13(16)6-9)20-15(12(7-17)8-18-20)19(10(2)21)11(3)22/h4-6,8H,1-3H3
InChIKeyNSEYLOSIJHBZDP-UHFFFAOYSA-N
XLogP2.61
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.75
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide?
The IUPAC name of N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide (CID 13127638) is N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide.
What is the SMILES notation for N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide?
The canonical SMILES for N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide is CC(=O)N(C(C)=O)c1c(C#N)cnn1-c1ccc(C)cc1Cl.
What is the InChIKey of N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide?
The InChIKey is NSEYLOSIJHBZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O2/c1-9-4-5-14(13(16)6-9)20-15(12(7-17)8-18-20)19(10(2)21)11(3)22/h4-6,8H,1-3H3.
What are the key properties of N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide?
N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide has a molecular weight of 316.75 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[1-(2-chloro-4-methylphenyl)-4-cyanopyrazol-5-yl]acetamide is sourced from PubChem (CID 13127638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).