(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone

C13H12N4O — CID 140526822

IUPAC(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone
SMILESCc1nn(C)cc1C(=O)n1ncc2ccccc21
InChIInChI=1S/C13H12N4O/c1-9-11(8-16(2)15-9)13(18)17-12-6-4-3-5-10(12)7-14-17/h3-8H,1-2H3
InChIKeyLOHCWVIPJFBURA-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.77
Rot. Bonds1

About (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone

(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone (PubChem CID 140526822) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone.

Molecular Properties

Compound Name(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone
PubChem CID140526822
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone
SMILESCc1nn(C)cc1C(=O)n1ncc2ccccc21
InChIInChI=1S/C13H12N4O/c1-9-11(8-16(2)15-9)13(18)17-12-6-4-3-5-10(12)7-14-17/h3-8H,1-2H3
InChIKeyLOHCWVIPJFBURA-UHFFFAOYSA-N
XLogP1.77
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,2-di(indazol-1-yl)ethane-1,2-dione
CID 139197503
2-hydroxy-1-indazol-1-ylethanone
CID 141178771
indazole-1-carboxamide;trihydrochloride
CID 173083346
propyl indazole-1-carboxylate
CID 71095858
1,3-dimethylpyrazole-4-carboxylic acid;ethane
CID 142969611
(1,4-dimethyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 71873473
2-hydroxyethyl indazole-1-carboxylate
CID 141178752
1-(1,3-dimethylpyrazole-4-carbonyl)-4-phenylpiperidine-4-carboxylic acid
CID 75513234
3-[(1,3-dimethylpyrazole-4-carbonyl)amino]naphthalene-2-carboxylic acid
CID 75513355
2-indazol-1-yl-4-methylpyrimidine-5-carboxylic acid
CID 83182002
N-benzylindazole-1-carboxamide
CID 53033776
benzimidazol-1-yl(indazol-1-yl)methanone
CID 67255465

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone?
The IUPAC name of (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone (CID 140526822) is (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone.
What is the SMILES notation for (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone?
The canonical SMILES for (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone is Cc1nn(C)cc1C(=O)n1ncc2ccccc21.
What is the InChIKey of (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone?
The InChIKey is LOHCWVIPJFBURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-11(8-16(2)15-9)13(18)17-12-6-4-3-5-10(12)7-14-17/h3-8H,1-2H3.
What are the key properties of (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone?
(1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone has a molecular weight of 240.27 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylpyrazol-4-yl)-indazol-1-ylmethanone is sourced from PubChem (CID 140526822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).