(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone

C8H8N4O — CID 63079097

IUPAC(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone
SMILESCn1ccnc1C(=O)c1ccn[nH]1
InChIInChI=1S/C8H8N4O/c1-12-5-4-9-8(12)7(13)6-2-3-10-11-6/h2-5H,1H3,(H,10,11)
InChIKeyDGYVBJJRQQTQMG-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.37
Rot. Bonds2

About (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone

(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone (PubChem CID 63079097) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone
PubChem CID63079097
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone
SMILESCn1ccnc1C(=O)c1ccn[nH]1
InChIInChI=1S/C8H8N4O/c1-12-5-4-9-8(12)7(13)6-2-3-10-11-6/h2-5H,1H3,(H,10,11)
InChIKeyDGYVBJJRQQTQMG-UHFFFAOYSA-N
XLogP0.37
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
The IUPAC name of (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone (CID 63079097) is (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone is Cn1ccnc1C(=O)c1ccn[nH]1.
What is the InChIKey of (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
The InChIKey is DGYVBJJRQQTQMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-12-5-4-9-8(12)7(13)6-2-3-10-11-6/h2-5H,1H3,(H,10,11).
What are the key properties of (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone?
(1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone has a molecular weight of 176.18 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylimidazol-2-yl)-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 63079097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).