5-cyclopropyl-2-phenyl-1H-pyrazol-3-one

C12H12N2O — CID 66022699

IUPAC5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1-c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12-8-11(9-6-7-9)13-14(12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2
InChIKeyMUSCWJLJTVJKRI-UHFFFAOYSA-N
MW200.24 g/mol
LogP2.04
Rot. Bonds2

About 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one

5-cyclopropyl-2-phenyl-1H-pyrazol-3-one (PubChem CID 66022699) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
PubChem CID66022699
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(C2CC2)[nH]n1-c1ccccc1
InChIInChI=1S/C12H12N2O/c15-12-8-11(9-6-7-9)13-14(12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2
InChIKeyMUSCWJLJTVJKRI-UHFFFAOYSA-N
XLogP2.04
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one (CID 66022699) is 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one is O=c1cc(C2CC2)[nH]n1-c1ccccc1.
What is the InChIKey of 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one?
The InChIKey is MUSCWJLJTVJKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c15-12-8-11(9-6-7-9)13-14(12)10-4-2-1-3-5-10/h1-5,8-9,13H,6-7H2.
What are the key properties of 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one?
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one has a molecular weight of 200.24 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 66022699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).