1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone

C14H14N4O — CID 103124107

IUPAC1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2nn(C)c3ccccc23)cn1
InChIInChI=1S/C14H14N4O/c1-17-9-10(8-15-17)7-13(19)14-11-5-3-4-6-12(11)18(2)16-14/h3-6,8-9H,7H2,1-2H3
InChIKeyOZPAMKQVVLBSBM-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.73
Rot. Bonds3

About 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone

1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone (PubChem CID 103124107) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
PubChem CID103124107
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone
SMILESCn1cc(CC(=O)c2nn(C)c3ccccc23)cn1
InChIInChI=1S/C14H14N4O/c1-17-9-10(8-15-17)7-13(19)14-11-5-3-4-6-12(11)18(2)16-14/h3-6,8-9H,7H2,1-2H3
InChIKeyOZPAMKQVVLBSBM-UHFFFAOYSA-N
XLogP1.73
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylindazol-3-yl)-2-(4-methylphenyl)ethanone
CID 103123957
1-[(1-methylpyrazol-4-yl)methyl]indazole-3-carboxylic acid
CID 55178017
1-(1-methylindazol-3-yl)-2-(1,3-thiazol-5-yl)ethanone
CID 103125222
1-(1-methylindazol-3-yl)-3-phenylpropan-1-one
CID 103123981
1-cyclopropyl-3-(1-methylindazol-3-yl)propane-1,3-dione
CID 103119190
3-cyclopropyl-1-(1-methylindazol-3-yl)propan-1-one
CID 103124770
2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(1-methylindazol-3-yl)ethanone
CID 103124833
1-(1,3-dimethylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 102802676
1-(1-methylindazol-3-yl)pent-3-yn-1-one
CID 103124096
1-(1-methylindazol-3-yl)hexan-1-one
CID 103124222
4-methyl-1-(1-methylindazol-3-yl)pent-4-en-1-one
CID 103125342
1-(furan-2-yl)-2-(1-methylpyrazol-4-yl)ethanone
CID 62717295

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone (CID 103124107) is 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone is Cn1cc(CC(=O)c2nn(C)c3ccccc23)cn1.
What is the InChIKey of 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone?
The InChIKey is OZPAMKQVVLBSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-9-10(8-15-17)7-13(19)14-11-5-3-4-6-12(11)18(2)16-14/h3-6,8-9H,7H2,1-2H3.
What are the key properties of 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone?
1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone has a molecular weight of 254.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-2-(1-methylpyrazol-4-yl)ethanone is sourced from PubChem (CID 103124107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).