1-amino-4-chloropyrrole-2-carboxamide

C5H6ClN3O — CID 66984986

IUPAC1-amino-4-chloropyrrole-2-carboxamide
SMILESNC(=O)c1cc(Cl)cn1N
InChIInChI=1S/C5H6ClN3O/c6-3-1-4(5(7)10)9(8)2-3/h1-2H,8H2,(H2,7,10)
InChIKeyDGTNMHXPBRFIRW-UHFFFAOYSA-N
MW159.58 g/mol
LogP-0.05
Rot. Bonds1

About 1-amino-4-chloropyrrole-2-carboxamide

1-amino-4-chloropyrrole-2-carboxamide (PubChem CID 66984986) has the molecular formula C5H6ClN3O and a molecular weight of 159.58 g/mol. Its IUPAC name is 1-amino-4-chloropyrrole-2-carboxamide.

Molecular Properties

Compound Name1-amino-4-chloropyrrole-2-carboxamide
PubChem CID66984986
Molecular FormulaC5H6ClN3O
Molecular Weight159.58 g/mol
Exact Mass159.02
IUPAC Name1-amino-4-chloropyrrole-2-carboxamide
SMILESNC(=O)c1cc(Cl)cn1N
InChIInChI=1S/C5H6ClN3O/c6-3-1-4(5(7)10)9(8)2-3/h1-2H,8H2,(H2,7,10)
InChIKeyDGTNMHXPBRFIRW-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

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Related Compounds

4-chloro-1-(2-chlorophenyl)pyrrole-2-carboxylic acid
CID 114603238
1-amino-3-chloropyrrole-2-carboxamide
CID 90031887
4-chloro-1-piperidin-1-ylpyrrole-2-carboxylic acid
CID 114606418
4-chloro-2,6-difluorobenzamide
CID 22478130
4-chloro-1-[3-(dimethylamino)propyl]pyrrole-2-carboxylic acid
CID 114603191
4-chloro-1-(2-ethoxy-2-oxoethyl)pyrrole-2-carboxylic acid
CID 114604108
1-methylpyrrole-2,5-dicarboxamide
CID 141229760
4-chloro(13C)benzamide
CID 175798194
4-chlorobenzamide
CID 12084
(3-aminoazetidin-1-yl)-(4-chloro-1-cyclopropylpyrrol-2-yl)methanone
CID 65244336
N-(3-amino-2,2,4,4-tetramethylcyclobutyl)-4-chloro-1-ethylpyrrole-2-carboxamide
CID 79711659
1-(2-bromo-4,6-dimethylphenyl)-4-chloropyrrole-2-carboxylic acid
CID 114606233

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-chloropyrrole-2-carboxamide?
The IUPAC name of 1-amino-4-chloropyrrole-2-carboxamide (CID 66984986) is 1-amino-4-chloropyrrole-2-carboxamide.
What is the SMILES notation for 1-amino-4-chloropyrrole-2-carboxamide?
The canonical SMILES for 1-amino-4-chloropyrrole-2-carboxamide is NC(=O)c1cc(Cl)cn1N.
What is the InChIKey of 1-amino-4-chloropyrrole-2-carboxamide?
The InChIKey is DGTNMHXPBRFIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O/c6-3-1-4(5(7)10)9(8)2-3/h1-2H,8H2,(H2,7,10).
What are the key properties of 1-amino-4-chloropyrrole-2-carboxamide?
1-amino-4-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-4-chloropyrrole-2-carboxamide is sourced from PubChem (CID 66984986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).