(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone

C8H9N5O — CID 110466411

IUPAC(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
SMILESCc1cc(N)n(C(=O)c2ncc[nH]2)n1
InChIInChI=1S/C8H9N5O/c1-5-4-6(9)13(12-5)8(14)7-10-2-3-11-7/h2-4H,9H2,1H3,(H,10,11)
InChIKeyKBEIOCFPOXIAAE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.19
Rot. Bonds1

About (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone

(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone (PubChem CID 110466411) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
PubChem CID110466411
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone
SMILESCc1cc(N)n(C(=O)c2ncc[nH]2)n1
InChIInChI=1S/C8H9N5O/c1-5-4-6(9)13(12-5)8(14)7-10-2-3-11-7/h2-4H,9H2,1H3,(H,10,11)
InChIKeyKBEIOCFPOXIAAE-UHFFFAOYSA-N
XLogP0.19
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone?
The IUPAC name of (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone (CID 110466411) is (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone.
What is the SMILES notation for (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone?
The canonical SMILES for (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone is Cc1cc(N)n(C(=O)c2ncc[nH]2)n1.
What is the InChIKey of (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone?
The InChIKey is KBEIOCFPOXIAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5-4-6(9)13(12-5)8(14)7-10-2-3-11-7/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone?
(5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone has a molecular weight of 191.19 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-methylpyrazol-1-yl)-(1H-imidazol-2-yl)methanone is sourced from PubChem (CID 110466411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).