1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide

C17H20N2O — CID 3729418

IUPAC1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(-c2c(C(N)=O)c(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C17H20N2O/c1-10-4-6-13(7-5-10)15-11(2)19(14-8-9-14)12(3)16(15)17(18)20/h4-7,14H,8-9H2,1-3H3,(H2,18,20)
InChIKeyLZWAFFKINKIITK-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.51
Rot. Bonds3

About 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide

1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide (PubChem CID 3729418) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
PubChem CID3729418
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
SMILESCc1ccc(-c2c(C(N)=O)c(C)n(C3CC3)c2C)cc1
InChIInChI=1S/C17H20N2O/c1-10-4-6-13(7-5-10)15-11(2)19(14-8-9-14)12(3)16(15)17(18)20/h4-7,14H,8-9H2,1-3H3,(H2,18,20)
InChIKeyLZWAFFKINKIITK-UHFFFAOYSA-N
XLogP3.51
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide (CID 3729418) is 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide is Cc1ccc(-c2c(C(N)=O)c(C)n(C3CC3)c2C)cc1.
What is the InChIKey of 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
The InChIKey is LZWAFFKINKIITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-10-4-6-13(7-5-10)15-11(2)19(14-8-9-14)12(3)16(15)17(18)20/h4-7,14H,8-9H2,1-3H3,(H2,18,20).
What are the key properties of 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide?
1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide is sourced from PubChem (CID 3729418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).