N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine

C15H18Br2ClN3 — CID 105040627

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1c(Cl)cnn1CC
InChIInChI=1S/C15H18Br2ClN3/c1-3-7-19-14(11-8-10(16)5-6-12(11)17)15-13(18)9-20-21(15)4-2/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyBBUYJZRHJHBVHL-UHFFFAOYSA-N
MW435.59 g/mol
LogP5.17
Rot. Bonds6

About N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine

N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine (PubChem CID 105040627) has the molecular formula C15H18Br2ClN3 and a molecular weight of 435.59 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
PubChem CID105040627
Molecular FormulaC15H18Br2ClN3
Molecular Weight435.59 g/mol
Exact Mass432.96
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine
SMILESCCCNC(c1cc(Br)ccc1Br)c1c(Cl)cnn1CC
InChIInChI=1S/C15H18Br2ClN3/c1-3-7-19-14(11-8-10(16)5-6-12(11)17)15-13(18)9-20-21(15)4-2/h5-6,8-9,14,19H,3-4,7H2,1-2H3
InChIKeyBBUYJZRHJHBVHL-UHFFFAOYSA-N
XLogP5.17
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.59
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,5-dibromophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 115857989
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-chlorofuran-3-yl)methyl]propan-1-amine
CID 106693110
N-[(4-bromo-2-fluorophenyl)-(4-chloro-1-ethylpyrazol-5-yl)methyl]ethanamine
CID 114906523
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2-fluoro-4-methylphenyl)methyl]propan-1-amine
CID 105040678
N-[(4-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 107998653
N-[(2-bromo-5-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 43495349
N-[(4-chloro-1-ethylpyrazol-5-yl)-(6-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183147
N-[(4-chloro-1-ethylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methyl]propan-1-amine
CID 105183307
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,5-dimethylphenyl)methyl]propan-1-amine
CID 105040135
N-[(2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methyl]propan-1-amine
CID 114649324
N-[(2-chloro-3-fluorophenyl)-(2,5-dibromophenyl)methyl]propan-1-amine
CID 81454710
[(2,5-dibromophenyl)-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339423

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine (CID 105040627) is N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine is CCCNC(c1cc(Br)ccc1Br)c1c(Cl)cnn1CC.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
The InChIKey is BBUYJZRHJHBVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Br2ClN3/c1-3-7-19-14(11-8-10(16)5-6-12(11)17)15-13(18)9-20-21(15)4-2/h5-6,8-9,14,19H,3-4,7H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine?
N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine has a molecular weight of 435.59 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)-(2,5-dibromophenyl)methyl]propan-1-amine is sourced from PubChem (CID 105040627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).