1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride

C16H20Cl3N3O — CID 67203920

IUPAC1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
SMILESCc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H19Cl2N3O.ClH/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13;/h4-5,10-11H,2-3,6-9H2,1H3;1H
InChIKeyKRFXKZUBROVDKI-UHFFFAOYSA-N
MW376.72 g/mol
LogP4.38
Rot. Bonds5

About 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride

1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride (PubChem CID 67203920) has the molecular formula C16H20Cl3N3O and a molecular weight of 376.72 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
PubChem CID67203920
Molecular FormulaC16H20Cl3N3O
Molecular Weight376.72 g/mol
Exact Mass375.07
IUPAC Name1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
SMILESCc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C16H19Cl2N3O.ClH/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13;/h4-5,10-11H,2-3,6-9H2,1H3;1H
InChIKeyKRFXKZUBROVDKI-UHFFFAOYSA-N
XLogP4.38
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.72
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
CID 11595561
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]piperidine
CID 11537339
1-[4-[4-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxybutyl]piperazin-1-yl]ethanone
CID 24743842
3-(3-chloropropoxy)-1-(3,4-dichlorophenyl)-5-methylpyrazole
CID 71503614
1-(3,4-dichlorophenyl)-5-methyl-3-[[2-(pyrrolidin-1-ylmethyl)cyclobutyl]methoxy]pyrazole
CID 123281422
1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
CID 24957018
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol
CID 142714975
ethane;4-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]morpholine
CID 123557999

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride (CID 67203920) is 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride is Cc1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride?
The InChIKey is KRFXKZUBROVDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O.ClH/c1-12-10-16(22-9-8-20-6-2-3-7-20)19-21(12)13-4-5-14(17)15(18)11-13;/h4-5,10-11H,2-3,6-9H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride?
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride has a molecular weight of 376.72 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride is sourced from PubChem (CID 67203920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).