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

C14H15N3O2 — CID 64781535

IUPAC1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(-n2ccc(C(=O)N(C)C)n2)cc1
InChIInChI=1S/C14H15N3O2/c1-10(18)11-4-6-12(7-5-11)17-9-8-13(15-17)14(19)16(2)3/h4-9H,1-3H3
InChIKeyRQLZMQPFIAGTBY-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.78
Rot. Bonds3

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

1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64781535) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64781535
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(=O)c1ccc(-n2ccc(C(=O)N(C)C)n2)cc1
InChIInChI=1S/C14H15N3O2/c1-10(18)11-4-6-12(7-5-11)17-9-8-13(15-17)14(19)16(2)3/h4-9H,1-3H3
InChIKeyRQLZMQPFIAGTBY-UHFFFAOYSA-N
XLogP1.78
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide (CID 64781535) is 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide is CC(=O)c1ccc(-n2ccc(C(=O)N(C)C)n2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is RQLZMQPFIAGTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10(18)11-4-6-12(7-5-11)17-9-8-13(15-17)14(19)16(2)3/h4-9H,1-3H3.
What are the key properties of 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64781535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).