1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one

C21H24N2O4 — CID 71835117

IUPAC1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)CC1c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-5-20(24)23-17(14-9-7-6-8-10-14)13-16(22-23)15-11-18(25-2)21(27-4)19(12-15)26-3/h6-12,17H,5,13H2,1-4H3
InChIKeyMKEZMJOFFXUJJZ-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.80
Rot. Bonds6

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

1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 71835117) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID71835117
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)CC1c1ccccc1
InChIInChI=1S/C21H24N2O4/c1-5-20(24)23-17(14-9-7-6-8-10-14)13-16(22-23)15-11-18(25-2)21(27-4)19(12-15)26-3/h6-12,17H,5,13H2,1-4H3
InChIKeyMKEZMJOFFXUJJZ-UHFFFAOYSA-N
XLogP3.80
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
4-[(3S)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1145849
1-[3-(4-methylphenyl)-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]ethanone
CID 75458792
1-[(3S)-3-(4-bromophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 1211650
5-[(3R)-5-(3,4-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoate
CID 6970629
5-[(3R)-5-(3,5-dimethoxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 97286812
1-[5-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 170788091
2-chloro-1-[3-(3,4-dimethoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 66488358
ethyl 2-[5-[2-acetyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-3-yl]-2-methoxyphenoxy]acetate
CID 118296952
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
[(3R)-5-(3,4-dimethoxyphenyl)-3-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 40979345
[5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 45029306

Frequently Asked Questions

What is the IUPAC name of 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 71835117) is 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=C(c2cc(OC)c(OC)c(OC)c2)CC1c1ccccc1.
What is the InChIKey of 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is MKEZMJOFFXUJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-5-20(24)23-17(14-9-7-6-8-10-14)13-16(22-23)15-11-18(25-2)21(27-4)19(12-15)26-3/h6-12,17H,5,13H2,1-4H3.
What are the key properties of 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 368.43 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-phenyl-5-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 71835117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).