(1-methylindazol-6-yl)-pyrazol-1-ylmethanone

C12H10N4O — CID 110475554

IUPAC(1-methylindazol-6-yl)-pyrazol-1-ylmethanone
SMILESCn1ncc2ccc(C(=O)n3cccn3)cc21
InChIInChI=1S/C12H10N4O/c1-15-11-7-9(3-4-10(11)8-14-15)12(17)16-6-2-5-13-16/h2-8H,1H3
InChIKeyKNKBKJYKTVSPFD-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.46
Rot. Bonds1

About (1-methylindazol-6-yl)-pyrazol-1-ylmethanone

(1-methylindazol-6-yl)-pyrazol-1-ylmethanone (PubChem CID 110475554) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is (1-methylindazol-6-yl)-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name(1-methylindazol-6-yl)-pyrazol-1-ylmethanone
PubChem CID110475554
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name(1-methylindazol-6-yl)-pyrazol-1-ylmethanone
SMILESCn1ncc2ccc(C(=O)n3cccn3)cc21
InChIInChI=1S/C12H10N4O/c1-15-11-7-9(3-4-10(11)8-14-15)12(17)16-6-2-5-13-16/h2-8H,1H3
InChIKeyKNKBKJYKTVSPFD-UHFFFAOYSA-N
XLogP1.46
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylindazol-6-yl)-pyrazol-1-ylmethanone?
The IUPAC name of (1-methylindazol-6-yl)-pyrazol-1-ylmethanone (CID 110475554) is (1-methylindazol-6-yl)-pyrazol-1-ylmethanone.
What is the SMILES notation for (1-methylindazol-6-yl)-pyrazol-1-ylmethanone?
The canonical SMILES for (1-methylindazol-6-yl)-pyrazol-1-ylmethanone is Cn1ncc2ccc(C(=O)n3cccn3)cc21.
What is the InChIKey of (1-methylindazol-6-yl)-pyrazol-1-ylmethanone?
The InChIKey is KNKBKJYKTVSPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-15-11-7-9(3-4-10(11)8-14-15)12(17)16-6-2-5-13-16/h2-8H,1H3.
What are the key properties of (1-methylindazol-6-yl)-pyrazol-1-ylmethanone?
(1-methylindazol-6-yl)-pyrazol-1-ylmethanone has a molecular weight of 226.24 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylindazol-6-yl)-pyrazol-1-ylmethanone is sourced from PubChem (CID 110475554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).