4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane

C8H13ClN2O — CID 143277550

IUPAC4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane
SMILESCC.Cc1[nH]c(C(N)=O)cc1Cl
InChIInChI=1S/C6H7ClN2O.C2H6/c1-3-4(7)2-5(9-3)6(8)10;1-2/h2,9H,1H3,(H2,8,10);1-2H3
InChIKeyOALPBGYXTBSWEB-UHFFFAOYSA-N
MW188.66 g/mol
LogP2.10
Rot. Bonds1

About 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane

4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane (PubChem CID 143277550) has the molecular formula C8H13ClN2O and a molecular weight of 188.66 g/mol. Its IUPAC name is 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane.

Molecular Properties

Compound Name4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane
PubChem CID143277550
Molecular FormulaC8H13ClN2O
Molecular Weight188.66 g/mol
Exact Mass188.07
IUPAC Name4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane
SMILESCC.Cc1[nH]c(C(N)=O)cc1Cl
InChIInChI=1S/C6H7ClN2O.C2H6/c1-3-4(7)2-5(9-3)6(8)10;1-2/h2,9H,1H3,(H2,8,10);1-2H3
InChIKeyOALPBGYXTBSWEB-UHFFFAOYSA-N
XLogP2.10
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane 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-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane?
The IUPAC name of 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane (CID 143277550) is 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane.
What is the SMILES notation for 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane?
The canonical SMILES for 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane is CC.Cc1[nH]c(C(N)=O)cc1Cl.
What is the InChIKey of 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane?
The InChIKey is OALPBGYXTBSWEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O.C2H6/c1-3-4(7)2-5(9-3)6(8)10;1-2/h2,9H,1H3,(H2,8,10);1-2H3.
What are the key properties of 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane?
4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane has a molecular weight of 188.66 g/mol, XLogP of 2.10, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-1H-pyrrole-2-carboxamide;ethane is sourced from PubChem (CID 143277550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).