1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one

C18H18N2O — CID 3095456

IUPAC1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCCC(=O)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-18(21)20-17(15-11-7-4-8-12-15)13-16(19-20)14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3
InChIKeyHOBWTDDVUCBMFK-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.77
Rot. Bonds3

About 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one

1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one (PubChem CID 3095456) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one
PubChem CID3095456
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one
SMILESCCC(=O)N1N=C(c2ccccc2)CC1c1ccccc1
InChIInChI=1S/C18H18N2O/c1-2-18(21)20-17(15-11-7-4-8-12-15)13-16(19-20)14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3
InChIKeyHOBWTDDVUCBMFK-UHFFFAOYSA-N
XLogP3.77
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The IUPAC name of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one (CID 3095456) is 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one.
What is the SMILES notation for 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The canonical SMILES for 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one is CCC(=O)N1N=C(c2ccccc2)CC1c1ccccc1.
What is the InChIKey of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
The InChIKey is HOBWTDDVUCBMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-18(21)20-17(15-11-7-4-8-12-15)13-16(19-20)14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3.
What are the key properties of 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one?
1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one has a molecular weight of 278.36 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)propan-1-one is sourced from PubChem (CID 3095456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).