1,2-bis(2-methylpyrazol-3-yl)ethanone

C10H12N4O — CID 14596101

IUPAC1,2-bis(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1CC(=O)c1ccnn1C
InChIInChI=1S/C10H12N4O/c1-13-8(3-5-11-13)7-10(15)9-4-6-12-14(9)2/h3-6H,7H2,1-2H3
InChIKeyRJJQJRUQZFMUQN-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.58
Rot. Bonds3

About 1,2-bis(2-methylpyrazol-3-yl)ethanone

1,2-bis(2-methylpyrazol-3-yl)ethanone (PubChem CID 14596101) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 1,2-bis(2-methylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1,2-bis(2-methylpyrazol-3-yl)ethanone
PubChem CID14596101
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name1,2-bis(2-methylpyrazol-3-yl)ethanone
SMILESCn1nccc1CC(=O)c1ccnn1C
InChIInChI=1S/C10H12N4O/c1-13-8(3-5-11-13)7-10(15)9-4-6-12-14(9)2/h3-6H,7H2,1-2H3
InChIKeyRJJQJRUQZFMUQN-UHFFFAOYSA-N
XLogP0.58
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2-methylpyrazol-3-yl)ethanone?
The IUPAC name of 1,2-bis(2-methylpyrazol-3-yl)ethanone (CID 14596101) is 1,2-bis(2-methylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1,2-bis(2-methylpyrazol-3-yl)ethanone?
The canonical SMILES for 1,2-bis(2-methylpyrazol-3-yl)ethanone is Cn1nccc1CC(=O)c1ccnn1C.
What is the InChIKey of 1,2-bis(2-methylpyrazol-3-yl)ethanone?
The InChIKey is RJJQJRUQZFMUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-13-8(3-5-11-13)7-10(15)9-4-6-12-14(9)2/h3-6H,7H2,1-2H3.
What are the key properties of 1,2-bis(2-methylpyrazol-3-yl)ethanone?
1,2-bis(2-methylpyrazol-3-yl)ethanone has a molecular weight of 204.23 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpyrazol-3-yl)ethanone is sourced from PubChem (CID 14596101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).