N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine

C10H18BrN3 — CID 114662776

IUPACN-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
SMILESCCn1ncc(Br)c1CCNC(C)C
InChIInChI=1S/C10H18BrN3/c1-4-14-10(9(11)7-13-14)5-6-12-8(2)3/h7-8,12H,4-6H2,1-3H3
InChIKeyNQDRTYJYNKVGOS-UHFFFAOYSA-N
MW260.18 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine

N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine (PubChem CID 114662776) has the molecular formula C10H18BrN3 and a molecular weight of 260.18 g/mol. Its IUPAC name is N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
PubChem CID114662776
Molecular FormulaC10H18BrN3
Molecular Weight260.18 g/mol
Exact Mass259.07
IUPAC NameN-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
SMILESCCn1ncc(Br)c1CCNC(C)C
InChIInChI=1S/C10H18BrN3/c1-4-14-10(9(11)7-13-14)5-6-12-8(2)3/h7-8,12H,4-6H2,1-3H3
InChIKeyNQDRTYJYNKVGOS-UHFFFAOYSA-N
XLogP2.21
TPSA29.85 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
CID 114664295
4-bromo-1,5-diethylpyrazole
CID 66959053
3-(4-bromo-1-ethylpyrazol-5-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114667307
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 114664528
N-[2-(4-chloro-1-propylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662779
N-[1-(4-bromo-1-ethylpyrazol-5-yl)-2,2-difluoroethyl]propan-1-amine
CID 103517116
1-(4-bromo-1-ethylpyrazol-5-yl)hexan-3-one
CID 114663551
1-(4-bromo-1-propylpyrazol-5-yl)-2,3-dimethyl-N-propylbutan-1-amine
CID 105041187
N-[[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]methyl]propan-2-amine
CID 114652132
N-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]propan-2-amine
CID 114652111
N-[2-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]ethyl]-2-methylpropan-1-amine
CID 114662828

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine?
The IUPAC name of N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine (CID 114662776) is N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine is CCn1ncc(Br)c1CCNC(C)C.
What is the InChIKey of N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine?
The InChIKey is NQDRTYJYNKVGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3/c1-4-14-10(9(11)7-13-14)5-6-12-8(2)3/h7-8,12H,4-6H2,1-3H3.
What are the key properties of N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine?
N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine has a molecular weight of 260.18 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine is sourced from PubChem (CID 114662776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).