1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol

C19H25Cl2N3O2 — CID 142714975

IUPAC1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol
SMILESCc1c(C(C)O)c(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O2/c1-13-18(14(2)25)19(26-11-10-23-8-4-3-5-9-23)22-24(13)15-6-7-16(20)17(21)12-15/h6-7,12,14,25H,3-5,8-11H2,1-2H3
InChIKeySHIIOJUHSZRDLE-UHFFFAOYSA-N
MW398.33 g/mol
LogP4.41
Rot. Bonds6

About 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol

1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol (PubChem CID 142714975) has the molecular formula C19H25Cl2N3O2 and a molecular weight of 398.33 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol
PubChem CID142714975
Molecular FormulaC19H25Cl2N3O2
Molecular Weight398.33 g/mol
Exact Mass397.13
IUPAC Name1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol
SMILESCc1c(C(C)O)c(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C19H25Cl2N3O2/c1-13-18(14(2)25)19(26-11-10-23-8-4-3-5-9-23)22-24(13)15-6-7-16(20)17(21)12-15/h6-7,12,14,25H,3-5,8-11H2,1-2H3
InChIKeySHIIOJUHSZRDLE-UHFFFAOYSA-N
XLogP4.41
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.33
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol with MolForge

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Related Compounds

1-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]piperidine
CID 11689464
1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
CID 11689185
1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
CID 24957018
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
1-(3,4-dichlorophenyl)-3-ethoxy-4,5-dimethylpyrazole
CID 71082480
(1S)-1-[5-methyl-2-(2-piperidin-1-ylethoxy)phenyl]ethanol
CID 55190771
4-[2-(4,5-dimethyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 71449814
5-chloro-6-(2-piperidin-1-ylethoxy)pyridin-3-amine
CID 114046391
4-[2-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]methoxy]ethyl]morpholine
CID 54673475
1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
CID 11595561

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol (CID 142714975) is 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol is Cc1c(C(C)O)c(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol?
The InChIKey is SHIIOJUHSZRDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O2/c1-13-18(14(2)25)19(26-11-10-23-8-4-3-5-9-23)22-24(13)15-6-7-16(20)17(21)12-15/h6-7,12,14,25H,3-5,8-11H2,1-2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol?
1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol has a molecular weight of 398.33 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol is sourced from PubChem (CID 142714975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).