4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

C11H15N5O — CID 63564434

IUPAC4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H15N5O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,12H2,1-2H3,(H2,13,14,15,17)
InChIKeyONVFTRARSMIFEA-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.63
Rot. Bonds3

About 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide

4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63564434) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63564434
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(N)cc1C(=O)Nc1ncc[nH]1
InChIInChI=1S/C11H15N5O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,12H2,1-2H3,(H2,13,14,15,17)
InChIKeyONVFTRARSMIFEA-UHFFFAOYSA-N
XLogP1.63
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63565403
4-bromo-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 63562551
4-amino-N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 64519328
4-amino-1-cyclopropyl-N-(1H-imidazol-2-yl)pyrrole-2-carboxamide
CID 55214904
4-amino-1-propan-2-yl-N-(1,3-thiazol-2-yl)pyrrole-2-carboxamide
CID 43641885
3-amino-N-(1H-imidazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64525652
4-amino-N-(2-methyl-3-pyridinyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 79042631
4-amino-1-propan-2-yl-N-(2,4,6-tribromophenyl)pyrrole-2-carboxamide
CID 43643274
4-chloro-N-(1H-imidazol-2-yl)-1-methylpyrrole-2-carboxamide
CID 60968792
4-amino-N-(4-ethyl-1H-pyrazol-5-yl)-1-propan-2-ylpyrrole-2-carboxamide
CID 104616606
N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
CID 71706054
4-amino-N-(4-methoxyphenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642223

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide (CID 63564434) is 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(N)cc1C(=O)Nc1ncc[nH]1.
What is the InChIKey of 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is ONVFTRARSMIFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7(2)16-6-8(12)5-9(16)10(17)15-11-13-3-4-14-11/h3-7H,12H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide?
4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.63, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1H-imidazol-2-yl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63564434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).