4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine

C17H24BrN3 — CID 81027340

IUPAC4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1c(Br)c(C)nn1C)c1ccccc1
InChIInChI=1S/C17H24BrN3/c1-4-19-12-15(14-8-6-5-7-9-14)10-11-16-17(18)13(2)20-21(16)3/h5-9,15,19H,4,10-12H2,1-3H3
InChIKeyPKZUXOMYKXZWLQ-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.82
Rot. Bonds7

About 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine

4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine (PubChem CID 81027340) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine.

Molecular Properties

Compound Name4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine
PubChem CID81027340
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC Name4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine
SMILESCCNCC(CCc1c(Br)c(C)nn1C)c1ccccc1
InChIInChI=1S/C17H24BrN3/c1-4-19-12-15(14-8-6-5-7-9-14)10-11-16-17(18)13(2)20-21(16)3/h5-9,15,19H,4,10-12H2,1-3H3
InChIKeyPKZUXOMYKXZWLQ-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-phenylbutanoic acid
CID 81007945
N-ethyl-4-(1-methylpyrazol-3-yl)-2-phenylbutan-1-amine
CID 82881887
N-ethyl-2,4-diphenylbutan-1-amine
CID 81024071
4-(3-bromophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81024527
4-bromo-5-(3-chloro-2-methyl-3-phenylpropyl)-1,3-dimethylpyrazole
CID 104846442
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-(2-bromophenyl)-N-methylpropan-1-amine
CID 79449234
(1R)-1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-phenylpropan-2-one
CID 104891130
4-amino-1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-methyl-4-phenylbutan-2-one
CID 116598997
3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-(4-fluorophenyl)propan-1-amine
CID 79432834
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-methoxy-1-phenylpropan-2-ol
CID 116756796
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
4-(2,4-difluorophenyl)-N-ethyl-2-phenylbutan-1-amine
CID 81027876

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine?
The IUPAC name of 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine (CID 81027340) is 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine.
What is the SMILES notation for 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine?
The canonical SMILES for 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine is CCNCC(CCc1c(Br)c(C)nn1C)c1ccccc1.
What is the InChIKey of 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine?
The InChIKey is PKZUXOMYKXZWLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-4-19-12-15(14-8-6-5-7-9-14)10-11-16-17(18)13(2)20-21(16)3/h5-9,15,19H,4,10-12H2,1-3H3.
What are the key properties of 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine?
4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine has a molecular weight of 350.30 g/mol, XLogP of 3.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyl-2-phenylbutan-1-amine is sourced from PubChem (CID 81027340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).