phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone

C19H18N2O — CID 134910036

IUPACphenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1nc(-c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(2)21-18(19(22)16-11-7-4-8-12-16)13-17(20-21)15-9-5-3-6-10-15/h3-14H,1-2H3
InChIKeyQWNQKAPKCBYLCP-UHFFFAOYSA-N
MW290.37 g/mol
LogP4.36
Rot. Bonds4

About phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone

phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 134910036) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Namephenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID134910036
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Namephenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCC(C)n1nc(-c2ccccc2)cc1C(=O)c1ccccc1
InChIInChI=1S/C19H18N2O/c1-14(2)21-18(19(22)16-11-7-4-8-12-16)13-17(20-21)15-9-5-3-6-10-15/h3-14H,1-2H3
InChIKeyQWNQKAPKCBYLCP-UHFFFAOYSA-N
XLogP4.36
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone (CID 134910036) is phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone is CC(C)n1nc(-c2ccccc2)cc1C(=O)c1ccccc1.
What is the InChIKey of phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is QWNQKAPKCBYLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14(2)21-18(19(22)16-11-7-4-8-12-16)13-17(20-21)15-9-5-3-6-10-15/h3-14H,1-2H3.
What are the key properties of phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone?
phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 290.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(3-phenyl-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 134910036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).