2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone

C15H18N2O2 — CID 63976549

IUPAC2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C15H18N2O2/c1-3-9-17-14(7-8-16-17)15(18)11-12-5-4-6-13(10-12)19-2/h4-8,10H,3,9,11H2,1-2H3
InChIKeyGBUYKCNEPPARNU-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.73
Rot. Bonds6

About 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone

2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone (PubChem CID 63976549) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
PubChem CID63976549
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone
SMILESCCCn1nccc1C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C15H18N2O2/c1-3-9-17-14(7-8-16-17)15(18)11-12-5-4-6-13(10-12)19-2/h4-8,10H,3,9,11H2,1-2H3
InChIKeyGBUYKCNEPPARNU-UHFFFAOYSA-N
XLogP2.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63975698
1-(2-propylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 114972242
2-(3-methoxyphenyl)-1-(5-methylfuran-3-yl)ethanone
CID 114821159
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
2-(3-methoxyphenyl)-1-(2,4,6-trichlorophenyl)ethanone
CID 105348903
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 95456132
2-(2-chloro-4-fluorophenyl)-1-(2-propylpyrazol-3-yl)ethanone
CID 63974862
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-(3-methoxyphenyl)-1-(1-methylindol-3-yl)ethanone
CID 43340241
1-[1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]butan-1-one
CID 79105455
N-[2-[(4-bromothiophen-2-yl)methyl]pyrazol-3-yl]-2-(3-methoxyphenyl)acetamide
CID 18190050
1-(4-chloro-2,5-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 82772175

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The IUPAC name of 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone (CID 63976549) is 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone.
What is the SMILES notation for 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The canonical SMILES for 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone is CCCn1nccc1C(=O)Cc1cccc(OC)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone?
The InChIKey is GBUYKCNEPPARNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-9-17-14(7-8-16-17)15(18)11-12-5-4-6-13(10-12)19-2/h4-8,10H,3,9,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone?
2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1-(2-propylpyrazol-3-yl)ethanone is sourced from PubChem (CID 63976549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).