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

C13H16N2O2 — CID 175842138

IUPAC1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=CCC1c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)15-12(8-9-14-15)10-4-6-11(17-2)7-5-10/h4-7,9,12H,3,8H2,1-2H3
InChIKeyDTGRXYSSMUASHP-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.36
Rot. Bonds3

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

1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (PubChem CID 175842138) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
PubChem CID175842138
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
SMILESCCC(=O)N1N=CCC1c1ccc(OC)cc1
InChIInChI=1S/C13H16N2O2/c1-3-13(16)15-12(8-9-14-15)10-4-6-11(17-2)7-5-10/h4-7,9,12H,3,8H2,1-2H3
InChIKeyDTGRXYSSMUASHP-UHFFFAOYSA-N
XLogP2.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
1-[4-[3-[4-(difluoromethoxy)phenyl]-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882619
1-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 7092205
ethyl 3-phenyl-3,4-dihydropyrazole-2-carboxylate
CID 3079077
1-[5-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 170788091
1-[4-[3-(4-fluorophenyl)-3,4-dihydropyrazole-2-carbonyl]piperidin-1-yl]propan-1-one
CID 174882514
N-(4-methoxyphenyl)-3-phenyl-3,4-dihydropyrazole-2-carbothioamide
CID 2951269
1-[5-(2,4-dichlorophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one
CID 4057793
1-[(2S,3R)-3-(4-methoxyphenyl)-1,4,5-triazatricyclo[5.2.2.02,6]undec-5-en-4-yl]propan-1-one
CID 7479008
CID 131869061
CID 131869061
2-(4-methylpiperazin-1-yl)-1-(3-phenyl-3,4-dihydropyrazol-2-yl)ethanone
CID 69478677
1-[(5S,7R)-7-(4-methoxyphenyl)-5-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl]propan-1-one
CID 7370457

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The IUPAC name of 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one (CID 175842138) is 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The canonical SMILES for 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is CCC(=O)N1N=CCC1c1ccc(OC)cc1.
What is the InChIKey of 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
The InChIKey is DTGRXYSSMUASHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-13(16)15-12(8-9-14-15)10-4-6-11(17-2)7-5-10/h4-7,9,12H,3,8H2,1-2H3.
What are the key properties of 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one?
1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one has a molecular weight of 232.28 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]propan-1-one is sourced from PubChem (CID 175842138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).