1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

C17H18N2O2 — CID 3831781

IUPAC1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccco1
InChIInChI=1S/C17H18N2O2/c1-3-17(20)19-15(16-5-4-10-21-16)11-14(18-19)13-8-6-12(2)7-9-13/h4-10,15H,3,11H2,1-2H3
InChIKeyXYKLSOOUVLSMMB-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.68
Rot. Bonds3

About 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 3831781) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID3831781
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccco1
InChIInChI=1S/C17H18N2O2/c1-3-17(20)19-15(16-5-4-10-21-16)11-14(18-19)13-8-6-12(2)7-9-13/h4-10,15H,3,11H2,1-2H3
InChIKeyXYKLSOOUVLSMMB-UHFFFAOYSA-N
XLogP3.68
TPSA45.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 3831781) is 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccco1.
What is the InChIKey of 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is XYKLSOOUVLSMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-17(20)19-15(16-5-4-10-21-16)11-14(18-19)13-8-6-12(2)7-9-13/h4-10,15H,3,11H2,1-2H3.
What are the key properties of 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 282.34 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 3831781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).