3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide

C11H16N6O — CID 77080327

IUPAC3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(N)n[nH]1)c1ncc(C)[nH]1
InChIInChI=1S/C11H16N6O/c1-3-7(10-13-5-6(2)14-10)15-11(18)8-4-9(12)17-16-8/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,18)(H3,12,16,17)
InChIKeyDRRXUEACEBAWGF-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.90
Rot. Bonds4

About 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide

3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide (PubChem CID 77080327) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
PubChem CID77080327
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide
SMILESCCC(NC(=O)c1cc(N)n[nH]1)c1ncc(C)[nH]1
InChIInChI=1S/C11H16N6O/c1-3-7(10-13-5-6(2)14-10)15-11(18)8-4-9(12)17-16-8/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,18)(H3,12,16,17)
InChIKeyDRRXUEACEBAWGF-UHFFFAOYSA-N
XLogP0.90
TPSA112.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide (CID 77080327) is 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide is CCC(NC(=O)c1cc(N)n[nH]1)c1ncc(C)[nH]1.
What is the InChIKey of 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DRRXUEACEBAWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-3-7(10-13-5-6(2)14-10)15-11(18)8-4-9(12)17-16-8/h4-5,7H,3H2,1-2H3,(H,13,14)(H,15,18)(H3,12,16,17).
What are the key properties of 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.90, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 77080327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).