2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one

C9H12N4O — CID 165451138

IUPAC2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1-c1cnn(C)c1
InChIInChI=1S/C9H12N4O/c1-6-8(9(14)13(3)11-6)7-4-10-12(2)5-7/h4-5,11H,1-3H3
InChIKeyMYQDXOWPBGTSIV-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.42
Rot. Bonds1

About 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one

2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one (PubChem CID 165451138) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
PubChem CID165451138
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one
SMILESCc1[nH]n(C)c(=O)c1-c1cnn(C)c1
InChIInChI=1S/C9H12N4O/c1-6-8(9(14)13(3)11-6)7-4-10-12(2)5-7/h4-5,11H,1-3H3
InChIKeyMYQDXOWPBGTSIV-UHFFFAOYSA-N
XLogP0.42
TPSA55.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
The IUPAC name of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one (CID 165451138) is 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one.
What is the SMILES notation for 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
The canonical SMILES for 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one is Cc1[nH]n(C)c(=O)c1-c1cnn(C)c1.
What is the InChIKey of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
The InChIKey is MYQDXOWPBGTSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-8(9(14)13(3)11-6)7-4-10-12(2)5-7/h4-5,11H,1-3H3.
What are the key properties of 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one?
2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one has a molecular weight of 192.22 g/mol, XLogP of 0.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-(1-methylpyrazol-4-yl)-1H-pyrazol-3-one is sourced from PubChem (CID 165451138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).