(2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone

C8H8N4O — CID 573254

IUPAC(2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCn1nccc1C(=O)n1cccn1
InChIInChI=1S/C8H8N4O/c1-11-7(3-5-9-11)8(13)12-6-2-4-10-12/h2-6H,1H3
InChIKeyXKPNDIBDEFNFPA-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.31
Rot. Bonds1

About (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone

(2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone (PubChem CID 573254) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
PubChem CID573254
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name(2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone
SMILESCn1nccc1C(=O)n1cccn1
InChIInChI=1S/C8H8N4O/c1-11-7(3-5-9-11)8(13)12-6-2-4-10-12/h2-6H,1H3
InChIKeyXKPNDIBDEFNFPA-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 (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone (CID 573254) is (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone is Cn1nccc1C(=O)n1cccn1.
What is the InChIKey of (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
The InChIKey is XKPNDIBDEFNFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-11-7(3-5-9-11)8(13)12-6-2-4-10-12/h2-6H,1H3.
What are the key properties of (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone?
(2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone 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 (2-methylpyrazol-3-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 573254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).