(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate

C20H26ClN3O2 — CID 55755698

IUPAC(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
SMILESCCN1CCCC(OC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1
InChIInChI=1S/C20H26ClN3O2/c1-4-23-11-5-6-18(13-23)26-20(25)12-19-14(2)22-24(15(19)3)17-9-7-16(21)8-10-17/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyUAODFZUZSXDEJQ-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.71
Rot. Bonds5

About (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate

(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate (PubChem CID 55755698) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate.

Molecular Properties

Compound Name(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
PubChem CID55755698
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
SMILESCCN1CCCC(OC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1
InChIInChI=1S/C20H26ClN3O2/c1-4-23-11-5-6-18(13-23)26-20(25)12-19-14(2)22-24(15(19)3)17-9-7-16(21)8-10-17/h7-10,18H,4-6,11-13H2,1-3H3
InChIKeyUAODFZUZSXDEJQ-UHFFFAOYSA-N
XLogP3.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]piperidine-3-carboxylic acid
CID 119173627
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]ethanone
CID 112830572
1-[3-(1-aminoethyl)piperidin-1-yl]-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethanone
CID 119595105
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-cyclopentyloxyphenyl)acetamide
CID 55807650
1-[[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]azetidine-3-carboxylic acid
CID 122046745
1-(4-chlorophenyl)-4-ethyl-3,5-dimethylpyrazole
CID 50888250
4-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 119238963
2,4-bis[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1,5-dipyrrolidin-1-ylpentan-3-one
CID 175281612
1-[2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetyl]-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55951781
(1-ethylpiperidin-3-yl) 3-(5-chlorothiophen-2-yl)propanoate
CID 55771779
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]ethanone
CID 55850486
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-hydroxyethyl)acetamide
CID 78884828

Frequently Asked Questions

What is the IUPAC name of (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate?
The IUPAC name of (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate (CID 55755698) is (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate.
What is the SMILES notation for (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate?
The canonical SMILES for (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate is CCN1CCCC(OC(=O)Cc2c(C)nn(-c3ccc(Cl)cc3)c2C)C1.
What is the InChIKey of (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate?
The InChIKey is UAODFZUZSXDEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c1-4-23-11-5-6-18(13-23)26-20(25)12-19-14(2)22-24(15(19)3)17-9-7-16(21)8-10-17/h7-10,18H,4-6,11-13H2,1-3H3.
What are the key properties of (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate?
(1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate has a molecular weight of 375.90 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethylpiperidin-3-yl) 2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetate is sourced from PubChem (CID 55755698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).