1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine

C10H18BrN3 — CID 114657499

IUPAC1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
SMILESCCCCC(N)c1c(Br)cnn1CC
InChIInChI=1S/C10H18BrN3/c1-3-5-6-9(12)10-8(11)7-13-14(10)4-2/h7,9H,3-6,12H2,1-2H3
InChIKeyNVRXIFPMBFXCIZ-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.86
Rot. Bonds5

About 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine

1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine (PubChem CID 114657499) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
PubChem CID114657499
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC Name1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine
SMILESCCCCC(N)c1c(Br)cnn1CC
InChIInChI=1S/C10H18BrN3/c1-3-5-6-9(12)10-8(11)7-13-14(10)4-2/h7,9H,3-6,12H2,1-2H3
InChIKeyNVRXIFPMBFXCIZ-UHFFFAOYSA-N
XLogP2.86
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-propan-2-ylsulfanylethanamine
CID 114653621
1-(4-bromo-1-ethylpyrazol-5-yl)-3-phenylpropan-1-amine
CID 114648404
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]nonan-1-amine
CID 105043060
1-(4-bromo-1-ethylpyrazol-5-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148166
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
(4-bromo-1-ethylpyrazol-5-yl)-(3,5-dibromophenyl)methanamine
CID 107977457
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(2,5-dimethylphenyl)ethanamine
CID 105040397
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
CID 114637716
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3,4-dimethoxyphenyl)ethanamine
CID 114648152
(4-bromo-1-ethylpyrazol-5-yl)-(2,3,4,5,6-pentafluorophenyl)methanamine
CID 105039998

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine?
The IUPAC name of 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine (CID 114657499) is 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine?
The canonical SMILES for 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine is CCCCC(N)c1c(Br)cnn1CC.
What is the InChIKey of 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine?
The InChIKey is NVRXIFPMBFXCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-3-5-6-9(12)10-8(11)7-13-14(10)4-2/h7,9H,3-6,12H2,1-2H3.
What are the key properties of 1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine?
1-(4-bromo-1-ethylpyrazol-5-yl)pentan-1-amine has a molecular weight of 260.18 g/mol, XLogP of 2.86, 5 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)pentan-1-amine is sourced from PubChem (CID 114657499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).