imidazol-1-yl-(2-methylpyrazol-3-yl)methanone

C8H8N4O — CID 95927860

IUPACimidazol-1-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)n1ccnc1
InChIInChI=1S/C8H8N4O/c1-11-7(2-3-10-11)8(13)12-5-4-9-6-12/h2-6H,1H3
InChIKeySHUHJJFNMVXZMJ-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.31
Rot. Bonds1

About imidazol-1-yl-(2-methylpyrazol-3-yl)methanone

imidazol-1-yl-(2-methylpyrazol-3-yl)methanone (PubChem CID 95927860) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is imidazol-1-yl-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Nameimidazol-1-yl-(2-methylpyrazol-3-yl)methanone
PubChem CID95927860
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Nameimidazol-1-yl-(2-methylpyrazol-3-yl)methanone
SMILESCn1nccc1C(=O)n1ccnc1
InChIInChI=1S/C8H8N4O/c1-11-7(2-3-10-11)8(13)12-5-4-9-6-12/h2-6H,1H3
InChIKeySHUHJJFNMVXZMJ-UHFFFAOYSA-N
XLogP0.31
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of imidazol-1-yl-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of imidazol-1-yl-(2-methylpyrazol-3-yl)methanone (CID 95927860) is imidazol-1-yl-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for imidazol-1-yl-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for imidazol-1-yl-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)n1ccnc1.
What is the InChIKey of imidazol-1-yl-(2-methylpyrazol-3-yl)methanone?
The InChIKey is SHUHJJFNMVXZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-11-7(2-3-10-11)8(13)12-5-4-9-6-12/h2-6H,1H3.
What are the key properties of imidazol-1-yl-(2-methylpyrazol-3-yl)methanone?
imidazol-1-yl-(2-methylpyrazol-3-yl)methanone has a molecular weight of 176.18 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-1-yl-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95927860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).