5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one

C13H14N2O — CID 66020447

IUPAC5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-6-11(7-3-9)15-13(16)8-12(14-15)10-4-5-10/h2-3,6-8,10,14H,4-5H2,1H3
InChIKeyGUUBISNLJHYJTD-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.35
Rot. Bonds2

About 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one

5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one (PubChem CID 66020447) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one
PubChem CID66020447
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one
SMILESCc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1
InChIInChI=1S/C13H14N2O/c1-9-2-6-11(7-3-9)15-13(16)8-12(14-15)10-4-5-10/h2-3,6-8,10,14H,4-5H2,1H3
InChIKeyGUUBISNLJHYJTD-UHFFFAOYSA-N
XLogP2.35
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one (CID 66020447) is 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one is Cc1ccc(-n2[nH]c(C3CC3)cc2=O)cc1.
What is the InChIKey of 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
The InChIKey is GUUBISNLJHYJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-2-6-11(7-3-9)15-13(16)8-12(14-15)10-4-5-10/h2-3,6-8,10,14H,4-5H2,1H3.
What are the key properties of 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one?
5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one has a molecular weight of 214.27 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-(4-methylphenyl)-1H-pyrazol-3-one is sourced from PubChem (CID 66020447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).