3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one

C20H27N3O3 — CID 70713988

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1OC1CCN(C(=O)CCc2n[nH]c(C)c2C)CC1
InChIInChI=1S/C20H27N3O3/c1-14-15(2)21-22-17(14)8-9-20(24)23-12-10-16(11-13-23)26-19-7-5-4-6-18(19)25-3/h4-7,16H,8-13H2,1-3H3,(H,21,22)
InChIKeyKJFPJHIYBYHWDS-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.04
Rot. Bonds6

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one

3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one (PubChem CID 70713988) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
PubChem CID70713988
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one
SMILESCOc1ccccc1OC1CCN(C(=O)CCc2n[nH]c(C)c2C)CC1
InChIInChI=1S/C20H27N3O3/c1-14-15(2)21-22-17(14)8-9-20(24)23-12-10-16(11-13-23)26-19-7-5-4-6-18(19)25-3/h4-7,16H,8-13H2,1-3H3,(H,21,22)
InChIKeyKJFPJHIYBYHWDS-UHFFFAOYSA-N
XLogP3.04
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(2-methoxyphenoxy)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 70786598
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
2-(2-methoxyethoxy)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70748201
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[3-(4-fluorophenyl)pyrrolidin-1-yl]propan-1-one
CID 91833490
4-[4-(2-methoxyphenoxy)piperidin-1-yl]-4-oxobutane-1-sulfonamide
CID 70735264
3-(2-methoxyphenyl)-1-(4-phenoxypiperidin-1-yl)propan-1-one
CID 110396740
methyl N-[2-[4-(2-methoxyphenoxy)piperidin-1-yl]-2-oxoethyl]carbamate
CID 70764459
1H-indazol-3-yl-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 70783899
3-[3-[4-(2-chlorophenoxy)piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70708975
(3S,4R)-1-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70768460
1-[4-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propan-1-one
CID 72872154
(4S)-4-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylimidazolidin-2-one
CID 95872118

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one (CID 70713988) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one is COc1ccccc1OC1CCN(C(=O)CCc2n[nH]c(C)c2C)CC1.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one?
The InChIKey is KJFPJHIYBYHWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-14-15(2)21-22-17(14)8-9-20(24)23-12-10-16(11-13-23)26-19-7-5-4-6-18(19)25-3/h4-7,16H,8-13H2,1-3H3,(H,21,22).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one has a molecular weight of 357.45 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-1-[4-(2-methoxyphenoxy)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 70713988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).