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

C11H13N5O — CID 55214904

IUPAC4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2ncc[nH]2)n(C2CC2)c1
InChIInChI=1S/C11H13N5O/c12-7-5-9(16(6-7)8-1-2-8)10(17)15-11-13-3-4-14-11/h3-6,8H,1-2,12H2,(H2,13,14,15,17)
InChIKeyOVSVUYQABSYGLL-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.38
Rot. Bonds3

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

4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide (PubChem CID 55214904) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
PubChem CID55214904
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
SMILESNc1cc(C(=O)Nc2ncc[nH]2)n(C2CC2)c1
InChIInChI=1S/C11H13N5O/c12-7-5-9(16(6-7)8-1-2-8)10(17)15-11-13-3-4-14-11/h3-6,8H,1-2,12H2,(H2,13,14,15,17)
InChIKeyOVSVUYQABSYGLL-UHFFFAOYSA-N
XLogP1.38
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide (CID 55214904) is 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide is Nc1cc(C(=O)Nc2ncc[nH]2)n(C2CC2)c1.
What is the InChIKey of 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide?
The InChIKey is OVSVUYQABSYGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-7-5-9(16(6-7)8-1-2-8)10(17)15-11-13-3-4-14-11/h3-6,8H,1-2,12H2,(H2,13,14,15,17).
What are the key properties of 4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide?
4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.38, 3 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-(1H-imidazol-2-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 55214904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).