1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine

C15H18BrCl2N3 — CID 114647661

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1c(Br)cnn1CC
InChIInChI=1S/C15H18BrCl2N3/c1-3-19-14(15-12(16)9-20-21(15)4-2)7-10-5-6-11(17)8-13(10)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyCBOLZTXEJZTFLL-UHFFFAOYSA-N
MW391.14 g/mol
LogP4.87
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine (PubChem CID 114647661) has the molecular formula C15H18BrCl2N3 and a molecular weight of 391.14 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
PubChem CID114647661
Molecular FormulaC15H18BrCl2N3
Molecular Weight391.14 g/mol
Exact Mass389.01
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)cc1Cl)c1c(Br)cnn1CC
InChIInChI=1S/C15H18BrCl2N3/c1-3-19-14(15-12(16)9-20-21(15)4-2)7-10-5-6-11(17)8-13(10)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyCBOLZTXEJZTFLL-UHFFFAOYSA-N
XLogP4.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.14
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-methylethanamine
CID 114647656
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-phenylethanamine
CID 114647076
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(2,4-difluorophenyl)-N-ethylethanamine
CID 114652982
[1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209581
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-2-(3-methylphenyl)ethanamine
CID 114648950
N-[(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dichloro-2-pyridinyl)methyl]ethanamine
CID 114657958
1-(4-bromo-3-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115840302
1-(2-bromo-4-fluorophenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839964
1-(4-bromo-1-ethylpyrazol-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 114648474
1-(3-chloro-4-pyridinyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 105132627
1-(4-bromo-2-methylphenyl)-2-(2,4-dichlorophenyl)-N-ethylethanamine
CID 115839880

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine (CID 114647661) is 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)cc1Cl)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
The InChIKey is CBOLZTXEJZTFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrCl2N3/c1-3-19-14(15-12(16)9-20-21(15)4-2)7-10-5-6-11(17)8-13(10)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine?
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine has a molecular weight of 391.14 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,4-dichlorophenyl)-N-ethylethanamine is sourced from PubChem (CID 114647661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).