4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

C20H22N4O3 — CID 2497350

IUPAC4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C
InChIInChI=1S/C20H22N4O3/c1-11-16(14(4)25)12(2)21-17(11)19(26)22-18-13(3)23(5)24(20(18)27)15-9-7-6-8-10-15/h6-10,21H,1-5H3,(H,22,26)
InChIKeyOSCKBFPQEBQWST-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.88
Rot. Bonds4

About 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide

4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (PubChem CID 2497350) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
PubChem CID2497350
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
SMILESCC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C
InChIInChI=1S/C20H22N4O3/c1-11-16(14(4)25)12(2)21-17(11)19(26)22-18-13(3)23(5)24(20(18)27)15-9-7-6-8-10-15/h6-10,21H,1-5H3,(H,22,26)
InChIKeyOSCKBFPQEBQWST-UHFFFAOYSA-N
XLogP2.88
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide (CID 2497350) is 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is CC(=O)c1c(C)[nH]c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C.
What is the InChIKey of 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
The InChIKey is OSCKBFPQEBQWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11-16(14(4)25)12(2)21-17(11)19(26)22-18-13(3)23(5)24(20(18)27)15-9-7-6-8-10-15/h6-10,21H,1-5H3,(H,22,26).
What are the key properties of 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide?
4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 2497350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).