1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

C20H22N2O3 — CID 25145918

IUPAC1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(OC)cc2)CC1c1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3/c1-4-20(23)22-19(15-7-11-17(25-3)12-8-15)13-18(21-22)14-5-9-16(24-2)10-6-14/h5-12,19H,4,13H2,1-3H3
InChIKeyQUQLXOURWWEGIZ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.79
Rot. Bonds5

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

1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 25145918) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID25145918
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2ccc(OC)cc2)CC1c1ccc(OC)cc1
InChIInChI=1S/C20H22N2O3/c1-4-20(23)22-19(15-7-11-17(25-3)12-8-15)13-18(21-22)14-5-9-16(24-2)10-6-14/h5-12,19H,4,13H2,1-3H3
InChIKeyQUQLXOURWWEGIZ-UHFFFAOYSA-N
XLogP3.79
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 25145918) is 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2ccc(OC)cc2)CC1c1ccc(OC)cc1.
What is the InChIKey of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is QUQLXOURWWEGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-20(23)22-19(15-7-11-17(25-3)12-8-15)13-18(21-22)14-5-9-16(24-2)10-6-14/h5-12,19H,4,13H2,1-3H3.
What are the key properties of 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 338.41 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 25145918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).