1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine

C15H20BrN3S — CID 64777846

IUPAC1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1cc(Br)cs1
InChIInChI=1S/C15H20BrN3S/c16-11-8-15(20-10-11)14(17)9-12-6-7-19(18-12)13-4-2-1-3-5-13/h6-8,10,13-14H,1-5,9,17H2
InChIKeyBUUMAOPZYSGASX-UHFFFAOYSA-N
MW354.32 g/mol
LogP4.45
Rot. Bonds4

About 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine

1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine (PubChem CID 64777846) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
PubChem CID64777846
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
SMILESNC(Cc1ccn(C2CCCCC2)n1)c1cc(Br)cs1
InChIInChI=1S/C15H20BrN3S/c16-11-8-15(20-10-11)14(17)9-12-6-7-19(18-12)13-4-2-1-3-5-13/h6-8,10,13-14H,1-5,9,17H2
InChIKeyBUUMAOPZYSGASX-UHFFFAOYSA-N
XLogP4.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 104987894
1-(3-bromophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 64784343
1-(3-bromo-5-fluorophenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 66426264
1-cycloheptyl-2-(1-cyclohexylpyrazol-3-yl)ethanamine
CID 65399634
[1-(5-bromothiophen-3-yl)-2-(1-cyclopentylpyrazol-3-yl)ethyl]hydrazine
CID 105314459
1-(5-bromofuran-2-yl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993969
2-(1-cyclopentylpyrazol-3-yl)-1-phenylethanamine
CID 64784526
1-(3-bromo-4-methylphenyl)-2-(1-cyclopentylpyrazol-3-yl)ethanamine
CID 104993935
2-(1-cyclohexylpyrazol-3-yl)-1-pyrimidin-5-ylethanamine
CID 102923483
2-(1-cyclohexylpyrazol-3-yl)-1-(3-fluorophenyl)ethanamine
CID 64785678
2-(1-cyclopentylpyrazol-3-yl)-1-(2,6-difluorophenyl)ethanamine
CID 79515283
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine (CID 64777846) is 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine is NC(Cc1ccn(C2CCCCC2)n1)c1cc(Br)cs1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
The InChIKey is BUUMAOPZYSGASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c16-11-8-15(20-10-11)14(17)9-12-6-7-19(18-12)13-4-2-1-3-5-13/h6-8,10,13-14H,1-5,9,17H2.
What are the key properties of 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine?
1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine has a molecular weight of 354.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-2-(1-cyclohexylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 64777846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).