1-amino-3-chloropyrrole-2-carboxamide

C5H6ClN3O — CID 90031887

IUPAC1-amino-3-chloropyrrole-2-carboxamide
SMILESNC(=O)c1c(Cl)ccn1N
InChIInChI=1S/C5H6ClN3O/c6-3-1-2-9(8)4(3)5(7)10/h1-2H,8H2,(H2,7,10)
InChIKeyFACKHURUTROOFK-UHFFFAOYSA-N
MW159.58 g/mol
LogP-0.05
Rot. Bonds1

About 1-amino-3-chloropyrrole-2-carboxamide

1-amino-3-chloropyrrole-2-carboxamide (PubChem CID 90031887) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 1-amino-3-chloropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-amino-3-chloropyrrole-2-carboxamide
PubChem CID90031887
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name1-amino-3-chloropyrrole-2-carboxamide
SMILESNC(=O)c1c(Cl)ccn1N
InChIInChI=1S/C5H6ClN3O/c6-3-1-2-9(8)4(3)5(7)10/h1-2H,8H2,(H2,7,10)
InChIKeyFACKHURUTROOFK-UHFFFAOYSA-N
XLogP-0.05
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.58
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-3-chloropyrrole-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

5-chloro-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one;formamide;methyl 1-amino-3-chloropyrrole-2-carboxylate
CID 157107930
1,3-dimethylpyrrole-2-carboxamide
CID 67113597
1-amino-4-chloropyrrole-2-carboxamide
CID 66984986
2,6-dichlorobenzamide;hydrochloride
CID 172775002
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
2-chloro-5-hydroxybenzamide
CID 57422942
2-(4-tert-butyl-5-chloro-2-methylphenyl)-6-hydroxy-4-oxo-1,6-naphthyridine-5-carboxamide
CID 169256336
2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 71281270
1-amino-3-bromo-4-methylpyrrole-2-carboxylic acid;1-amino-3-bromopyrrole-2-carboxylic acid
CID 157464031
2,3-dichlorobenzamide;hydron
CID 69226563
3-chloro-4-hydroxybenzamide
CID 22932347

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-chloropyrrole-2-carboxamide?
The IUPAC name of 1-amino-3-chloropyrrole-2-carboxamide (CID 90031887) is 1-amino-3-chloropyrrole-2-carboxamide.
What is the SMILES notation for 1-amino-3-chloropyrrole-2-carboxamide?
The canonical SMILES for 1-amino-3-chloropyrrole-2-carboxamide is NC(=O)c1c(Cl)ccn1N.
What is the InChIKey of 1-amino-3-chloropyrrole-2-carboxamide?
The InChIKey is FACKHURUTROOFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c6-3-1-2-9(8)4(3)5(7)10/h1-2H,8H2,(H2,7,10).
What are the key properties of 1-amino-3-chloropyrrole-2-carboxamide?
1-amino-3-chloropyrrole-2-carboxamide has a molecular weight of 159.58 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-chloropyrrole-2-carboxamide is sourced from PubChem (CID 90031887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).