4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

C10H13ClN2O2 — CID 43576939

IUPAC4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c[nH]1)N(CCO)C1CC1
InChIInChI=1S/C10H13ClN2O2/c11-7-5-9(12-6-7)10(15)13(3-4-14)8-1-2-8/h5-6,8,12,14H,1-4H2
InChIKeyIEQAFHLNJCDCMB-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.26
Rot. Bonds4

About 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide

4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (PubChem CID 43576939) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
PubChem CID43576939
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC Name4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide
SMILESO=C(c1cc(Cl)c[nH]1)N(CCO)C1CC1
InChIInChI=1S/C10H13ClN2O2/c11-7-5-9(12-6-7)10(15)13(3-4-14)8-1-2-8/h5-6,8,12,14H,1-4H2
InChIKeyIEQAFHLNJCDCMB-UHFFFAOYSA-N
XLogP1.26
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-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-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide (CID 43576939) is 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is O=C(c1cc(Cl)c[nH]1)N(CCO)C1CC1.
What is the InChIKey of 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
The InChIKey is IEQAFHLNJCDCMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c11-7-5-9(12-6-7)10(15)13(3-4-14)8-1-2-8/h5-6,8,12,14H,1-4H2.
What are the key properties of 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide?
4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43576939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).