1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine

C12H22BrN3 — CID 114664295

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
SMILESCCn1ncc(Br)c1CCC(NC)C(C)C
InChIInChI=1S/C12H22BrN3/c1-5-16-12(10(13)8-15-16)7-6-11(14-4)9(2)3/h8-9,11,14H,5-7H2,1-4H3
InChIKeyRQGCUPDUMZJVIC-UHFFFAOYSA-N
MW288.23 g/mol
LogP2.84
Rot. Bonds6

About 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine

1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine (PubChem CID 114664295) has the molecular formula C12H22BrN3 and a molecular weight of 288.23 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
PubChem CID114664295
Molecular FormulaC12H22BrN3
Molecular Weight288.23 g/mol
Exact Mass287.10
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
SMILESCCn1ncc(Br)c1CCC(NC)C(C)C
InChIInChI=1S/C12H22BrN3/c1-5-16-12(10(13)8-15-16)7-6-11(14-4)9(2)3/h8-9,11,14H,5-7H2,1-4H3
InChIKeyRQGCUPDUMZJVIC-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662776
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
4-bromo-1,5-diethylpyrazole
CID 66959053
1-(4-bromo-1-ethylpyrazol-5-yl)hexan-3-one
CID 114663551
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-2-pyridin-4-ylethanamine
CID 114649534
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
4-bromo-5-(3-bromobutyl)-1-(2-methoxyethyl)pyrazole
CID 114665364
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methylpentan-3-amine
CID 114664255
1-(4-bromo-1-ethylpyrazol-5-yl)-1-cyclopentyl-N-methylmethanamine
CID 114648216
1-(4-bromo-1-ethylpyrazol-5-yl)-N-methyl-3-phenoxypropan-1-amine
CID 114646096
1-(4-bromo-1-ethylpyrazol-5-yl)-2-ethoxy-N-methylpentan-1-amine
CID 114661088

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine (CID 114664295) is 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine is CCn1ncc(Br)c1CCC(NC)C(C)C.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine?
The InChIKey is RQGCUPDUMZJVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22BrN3/c1-5-16-12(10(13)8-15-16)7-6-11(14-4)9(2)3/h8-9,11,14H,5-7H2,1-4H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine has a molecular weight of 288.23 g/mol, XLogP of 2.84, 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)-N,4-dimethylpentan-3-amine is sourced from PubChem (CID 114664295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).