[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine

C15H26BrN3O — CID 114666641

IUPAC[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2c(Br)cnn2CCOC)C1
InChIInChI=1S/C15H26BrN3O/c1-3-11-4-5-12(9-17)13(8-11)15-14(16)10-18-19(15)6-7-20-2/h10-13H,3-9,17H2,1-2H3
InChIKeyQGRFNPXAMYNNQW-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.16
Rot. Bonds6

About [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine

[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine (PubChem CID 114666641) has the molecular formula C15H26BrN3O and a molecular weight of 344.30 g/mol. Its IUPAC name is [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
PubChem CID114666641
Molecular FormulaC15H26BrN3O
Molecular Weight344.30 g/mol
Exact Mass343.13
IUPAC Name[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine
SMILESCCC1CCC(CN)C(c2c(Br)cnn2CCOC)C1
InChIInChI=1S/C15H26BrN3O/c1-3-11-4-5-12(9-17)13(8-11)15-14(16)10-18-19(15)6-7-20-2/h10-13H,3-9,17H2,1-2H3
InChIKeyQGRFNPXAMYNNQW-UHFFFAOYSA-N
XLogP3.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylpiperidine
CID 114663304
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114662410
4-bromo-5-(2-bromocyclohexyl)-1-(2-methoxyethyl)pyrazole
CID 114662598
1-[2-(4-bromo-1-methylpyrazol-5-yl)-4-ethylcyclohexyl]-N-methylmethanamine
CID 114667461
4-bromo-5-(2-chlorocyclopentyl)-1-(2-methoxyethyl)pyrazole
CID 114662548
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-N-methylcyclohexan-1-amine
CID 114662846
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
2-[5-[2-(aminomethyl)cyclohexyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114666566
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-ethylcyclohexyl)methanone
CID 114640693
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
[4-ethyl-2-(1-ethylpyrazol-4-yl)cyclohexyl]methanamine
CID 81012445
[2-(4-bromo-1-ethylpyrazol-5-yl)-4,4-dimethylcyclohexyl]methanamine
CID 114666692

Frequently Asked Questions

What is the IUPAC name of [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine?
The IUPAC name of [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine (CID 114666641) is [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine.
What is the SMILES notation for [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine?
The canonical SMILES for [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine is CCC1CCC(CN)C(c2c(Br)cnn2CCOC)C1.
What is the InChIKey of [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine?
The InChIKey is QGRFNPXAMYNNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3O/c1-3-11-4-5-12(9-17)13(8-11)15-14(16)10-18-19(15)6-7-20-2/h10-13H,3-9,17H2,1-2H3.
What are the key properties of [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine?
[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine has a molecular weight of 344.30 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-4-ethylcyclohexyl]methanamine is sourced from PubChem (CID 114666641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).