N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide

C14H15N3O2 — CID 19474792

IUPACN-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C14H15N3O2/c1-9-13(8-17(3)16-9)14(19)15-12-6-4-11(5-7-12)10(2)18/h4-8H,1-3H3,(H,15,19)
InChIKeyJGZCRMVPLJPHPK-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.18
Rot. Bonds3

About N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide

N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19474792) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19474792
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCC(=O)c1ccc(NC(=O)c2cn(C)nc2C)cc1
InChIInChI=1S/C14H15N3O2/c1-9-13(8-17(3)16-9)14(19)15-12-6-4-11(5-7-12)10(2)18/h4-8H,1-3H3,(H,15,19)
InChIKeyJGZCRMVPLJPHPK-UHFFFAOYSA-N
XLogP2.18
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide (CID 19474792) is N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide is CC(=O)c1ccc(NC(=O)c2cn(C)nc2C)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is JGZCRMVPLJPHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9-13(8-17(3)16-9)14(19)15-12-6-4-11(5-7-12)10(2)18/h4-8H,1-3H3,(H,15,19).
What are the key properties of N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide?
N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19474792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).