N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine

C15H18BrCl2N3 — CID 105041314

IUPACN-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCCn1ncc(Br)c1C(NCC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18BrCl2N3/c1-3-7-21-15(12(16)9-20-21)14(19-4-2)11-8-10(17)5-6-13(11)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyUWPDSBACCJXZLG-UHFFFAOYSA-N
MW391.14 g/mol
LogP5.06
Rot. Bonds6

About N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine

N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine (PubChem CID 105041314) has the molecular formula C15H18BrCl2N3 and a molecular weight of 391.14 g/mol. Its IUPAC name is N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
PubChem CID105041314
Molecular FormulaC15H18BrCl2N3
Molecular Weight391.14 g/mol
Exact Mass389.01
IUPAC NameN-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
SMILESCCCn1ncc(Br)c1C(NCC)c1cc(Cl)ccc1Cl
InChIInChI=1S/C15H18BrCl2N3/c1-3-7-21-15(12(16)9-20-21)14(19-4-2)11-8-10(17)5-6-13(11)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyUWPDSBACCJXZLG-UHFFFAOYSA-N
XLogP5.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.14
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-1-propylpyrazol-5-yl)-(5-chloro-2-fluorophenyl)methyl]ethanamine
CID 114886433
N-[(4-bromo-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methyl]ethanamine
CID 105041382
N-[(4-bromo-1-ethylpyrazol-5-yl)-(4-chloro-2-fluorophenyl)methyl]ethanamine
CID 114651112
N-[(2-bromo-4-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]ethanamine
CID 105042540
N-[(4-bromo-1-propylpyrazol-5-yl)-(2-methylphenyl)methyl]ethanamine
CID 114647689
N-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
N-[(5-bromo-3-methyltriazol-4-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 106465075
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
N-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine
CID 105041732
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
N-[(4-chloro-1-propylpyrazol-5-yl)-(2,5-dibromothiophen-3-yl)methyl]ethanamine
CID 107969130
[(4-bromo-1-propylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]hydrazine
CID 106694739

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine?
The IUPAC name of N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine (CID 105041314) is N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine.
What is the SMILES notation for N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine?
The canonical SMILES for N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine is CCCn1ncc(Br)c1C(NCC)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine?
The InChIKey is UWPDSBACCJXZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrCl2N3/c1-3-7-21-15(12(16)9-20-21)14(19-4-2)11-8-10(17)5-6-13(11)18/h5-6,8-9,14,19H,3-4,7H2,1-2H3.
What are the key properties of N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine?
N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine has a molecular weight of 391.14 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-propylpyrazol-5-yl)-(2,5-dichlorophenyl)methyl]ethanamine is sourced from PubChem (CID 105041314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).