4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide

C12H14N4O2 — CID 113236894

IUPAC4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2[nH]ncc2C)n(C)c1
InChIInChI=1S/C12H14N4O2/c1-7-5-13-15-11(7)14-12(18)10-4-9(8(2)17)6-16(10)3/h4-6H,1-3H3,(H2,13,14,15,18)
InChIKeyIZTONUHYMXVXIK-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.51
Rot. Bonds3

About 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide

4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide (PubChem CID 113236894) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
PubChem CID113236894
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2[nH]ncc2C)n(C)c1
InChIInChI=1S/C12H14N4O2/c1-7-5-13-15-11(7)14-12(18)10-4-9(8(2)17)6-16(10)3/h4-6H,1-3H3,(H2,13,14,15,18)
InChIKeyIZTONUHYMXVXIK-UHFFFAOYSA-N
XLogP1.51
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-1-methyl-N-(1H-pyrazol-4-yl)pyrrole-2-carboxamide
CID 43540428
1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-4-carboxamide
CID 112691443
2-ethyl-5-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrazole-3-carboxamide
CID 113236961
5-methyl-N-(4-methyl-1H-pyrazol-5-yl)furan-3-carboxamide
CID 114821900
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-methylpyrrole-2-carboxamide
CID 104616582
6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63643592
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240
5-fluoro-N-(4-methyl-1H-pyrazol-5-yl)pyridine-3-carboxamide
CID 115694727
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
N-(4-methyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 113342821
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
CID 113236962
4-acetyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 107845337

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide (CID 113236894) is 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2[nH]ncc2C)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is IZTONUHYMXVXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-5-13-15-11(7)14-12(18)10-4-9(8(2)17)6-16(10)3/h4-6H,1-3H3,(H2,13,14,15,18).
What are the key properties of 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-(4-methyl-1H-pyrazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 113236894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).