4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide

C12H19N3O2 — CID 83176737

IUPAC4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(4-5-16)14-12(17)11-6-9(13)7-15(11)10-2-3-10/h6-8,10,16H,2-5,13H2,1H3,(H,14,17)
InChIKeyJIRLJWAKTGHQLA-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.91
Rot. Bonds5

About 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide

4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide (PubChem CID 83176737) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
PubChem CID83176737
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide
SMILESCC(CCO)NC(=O)c1cc(N)cn1C1CC1
InChIInChI=1S/C12H19N3O2/c1-8(4-5-16)14-12(17)11-6-9(13)7-15(11)10-2-3-10/h6-8,10,16H,2-5,13H2,1H3,(H,14,17)
InChIKeyJIRLJWAKTGHQLA-UHFFFAOYSA-N
XLogP0.91
TPSA80.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)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

Related Compounds

4-amino-1-cyclopropyl-N-(3-methylbutan-2-yl)pyrrole-2-carboxamide
CID 43643307
4-amino-1-cyclopropyl-N-(3-ethylpentan-2-yl)pyrrole-2-carboxamide
CID 63842385
4-amino-1-cyclopropyl-N-(2,3-dimethylbutyl)pyrrole-2-carboxamide
CID 64569791
4-amino-1-cyclopropyl-N-(3-methylsulfanylbutyl)pyrrole-2-carboxamide
CID 113493826
4-amino-1-cyclopropyl-N-(2,3,3-trimethylbutyl)pyrrole-2-carboxamide
CID 83142197
4-amino-1-cyclopropyl-N-[1-(2-methylphenyl)ethyl]pyrrole-2-carboxamide
CID 61118471
4-amino-1-cyclopropyl-N-[1-(oxolan-2-yl)ethyl]pyrrole-2-carboxamide
CID 43643692
4-amino-N-[1-(3-chlorophenyl)ethyl]-1-cyclopropylpyrrole-2-carboxamide
CID 61117976
4-amino-1-cyclopropyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrole-2-carboxamide
CID 62117868
4-amino-N-(cyclohexylmethyl)-1-cyclopropylpyrrole-2-carboxamide
CID 43643527
4-amino-1-cyclopropyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]pyrrole-2-carboxamide
CID 107864320
4-amino-1-cyclopropyl-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrole-2-carboxamide
CID 61193655

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide (CID 83176737) is 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide is CC(CCO)NC(=O)c1cc(N)cn1C1CC1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
The InChIKey is JIRLJWAKTGHQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(4-5-16)14-12(17)11-6-9(13)7-15(11)10-2-3-10/h6-8,10,16H,2-5,13H2,1H3,(H,14,17).
What are the key properties of 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-cyclopropyl-N-(4-hydroxybutan-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 83176737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).