1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole

C18H23Cl2N3O — CID 11689185

IUPAC1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
SMILESCC(C)c1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O/c1-13(2)17-12-18(24-10-9-22-7-3-4-8-22)21-23(17)14-5-6-15(19)16(20)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyZHVGGHRGDGANTC-UHFFFAOYSA-N
MW368.31 g/mol
LogP4.78
Rot. Bonds6

About 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole

1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole (PubChem CID 11689185) has the molecular formula C18H23Cl2N3O and a molecular weight of 368.31 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
PubChem CID11689185
Molecular FormulaC18H23Cl2N3O
Molecular Weight368.31 g/mol
Exact Mass367.12
IUPAC Name1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole
SMILESCC(C)c1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C18H23Cl2N3O/c1-13(2)17-12-18(24-10-9-22-7-3-4-8-22)21-23(17)14-5-6-15(19)16(20)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3
InChIKeyZHVGGHRGDGANTC-UHFFFAOYSA-N
XLogP4.78
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 54.78
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
4-[2-[1-(3,4-dichlorophenyl)-5-propan-2-ylpyrazol-3-yl]oxyethyl]morpholine
CID 11668112
1-(3,4-dichlorophenyl)-5-methyl-3-(2-pyrrolidin-1-ylethoxy)pyrazole;hydrochloride
CID 67203920
1-[2-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxyethyl]piperidine
CID 11667265
1-[2-[[1-(3,4-dichlorophenyl)-5-methyl-1,2,4-triazol-3-yl]oxy]ethyl]piperidine
CID 24957018
1-[1-(3,4-dichlorophenyl)-5-methyl-3-(2-piperidin-1-ylethoxy)pyrazol-4-yl]ethanol
CID 142714975
1-[2-(5-methyl-1-naphthalen-2-ylpyrazol-3-yl)oxyethyl]piperidine
CID 11537339
1-[2-[1-(3,4-dichlorophenyl)-5-methylpyrazol-3-yl]oxyethyl]pyrrolidin-3-amine
CID 11595561
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-1-ylbutoxy)pyrazole
CID 11674772
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

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole (CID 11689185) is 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole is CC(C)c1cc(OCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
The InChIKey is ZHVGGHRGDGANTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O/c1-13(2)17-12-18(24-10-9-22-7-3-4-8-22)21-23(17)14-5-6-15(19)16(20)11-14/h5-6,11-13H,3-4,7-10H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole?
1-(3,4-dichlorophenyl)-5-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole has a molecular weight of 368.31 g/mol, XLogP of 4.78, 6 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-propan-2-yl-3-(2-pyrrolidin-1-ylethoxy)pyrazole is sourced from PubChem (CID 11689185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).