1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone

C19H20N2O2 — CID 66866499

IUPAC1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
SMILESCCOc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-23-17-10-8-16(9-11-17)18-12-13-21(20-18)19(22)14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3
InChIKeyNORRWKJNRZOBLW-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.26
Rot. Bonds5

About 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone

1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone (PubChem CID 66866499) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
PubChem CID66866499
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
SMILESCCOc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)cc1
InChIInChI=1S/C19H20N2O2/c1-2-23-17-10-8-16(9-11-17)18-12-13-21(20-18)19(22)14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3
InChIKeyNORRWKJNRZOBLW-UHFFFAOYSA-N
XLogP3.26
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-phenylacetyl)-3,4-dihydropyrazol-5-yl]benzonitrile
CID 66866214
2-(4-methylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 134011024
(2-ethoxyphenyl)methyl 4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoate
CID 55311397
2-(4-methoxyphenyl)-1-[5-(3-methoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 66865432
4-[2-[2-(3-methoxyphenyl)acetyl]-3,4-dihydropyrazol-5-yl]benzonitrile
CID 66866114
[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844659
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-phenylethanone
CID 108545578
1-[5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone
CID 86097008
2-(2-benzylphenoxy)-1-(5-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 26001928
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077436
1-[4-[6-(4-ethoxyphenyl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylethanone
CID 121106819
N-[2-(4-tert-butylphenoxy)ethyl]-4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanamide
CID 55376217

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
The IUPAC name of 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone (CID 66866499) is 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone.
What is the SMILES notation for 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
The canonical SMILES for 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone is CCOc1ccc(C2=NN(C(=O)Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
The InChIKey is NORRWKJNRZOBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-2-23-17-10-8-16(9-11-17)18-12-13-21(20-18)19(22)14-15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3.
What are the key properties of 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone?
1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone has a molecular weight of 308.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-ethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-phenylethanone is sourced from PubChem (CID 66866499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).