4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

C13H16N4O2 — CID 71908368

IUPAC4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2cnn(C)c2C)c1
InChIInChI=1S/C13H16N4O2/c1-8-11(7-16-17(8)3)6-15-13(19)12-4-10(5-14-12)9(2)18/h4-5,7,14H,6H2,1-3H3,(H,15,19)
InChIKeyNOFAHCIDUNZYQX-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.19
Rot. Bonds4

About 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide

4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 71908368) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID71908368
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c[nH]c(C(=O)NCc2cnn(C)c2C)c1
InChIInChI=1S/C13H16N4O2/c1-8-11(7-16-17(8)3)6-15-13(19)12-4-10(5-14-12)9(2)18/h4-5,7,14H,6H2,1-3H3,(H,15,19)
InChIKeyNOFAHCIDUNZYQX-UHFFFAOYSA-N
XLogP1.19
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide (CID 71908368) is 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is CC(=O)c1c[nH]c(C(=O)NCc2cnn(C)c2C)c1.
What is the InChIKey of 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is NOFAHCIDUNZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-11(7-16-17(8)3)6-15-13(19)12-4-10(5-14-12)9(2)18/h4-5,7,14H,6H2,1-3H3,(H,15,19).
What are the key properties of 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide?
4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1,5-dimethylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 71908368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).