(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine

C11H18BrN3 — CID 114646840

IUPAC(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
SMILESCn1ncc(Br)c1C(N)C1CCCCC1
InChIInChI=1S/C11H18BrN3/c1-15-11(9(12)7-14-15)10(13)8-5-3-2-4-6-8/h7-8,10H,2-6,13H2,1H3
InChIKeyCFCUMMWDUOQBJU-UHFFFAOYSA-N
MW272.19 g/mol
LogP2.76
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine

(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine (PubChem CID 114646840) has the molecular formula C11H18BrN3 and a molecular weight of 272.19 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
PubChem CID114646840
Molecular FormulaC11H18BrN3
Molecular Weight272.19 g/mol
Exact Mass271.07
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
SMILESCn1ncc(Br)c1C(N)C1CCCCC1
InChIInChI=1S/C11H18BrN3/c1-15-11(9(12)7-14-15)10(13)8-5-3-2-4-6-8/h7-8,10H,2-6,13H2,1H3
InChIKeyCFCUMMWDUOQBJU-UHFFFAOYSA-N
XLogP2.76
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
cyclopropyl-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114646874
(4-bromo-1-methylpyrazol-5-yl)-(thiolan-2-yl)methanol
CID 114645036
(4-bromo-1-methylpyrazol-5-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 114660003
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(4-propan-2-ylcyclohexyl)methanamine
CID 114655524
(4-chloro-1-methylpyrazol-5-yl)-(oxan-4-yl)methanamine
CID 114654805
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107190968
2-cyclohexyl-2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanamine
CID 114662095
1-(4-bromo-1-methylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665859
1-(4-bromo-1-methylpyrazol-5-yl)-2,2-difluoropropan-1-amine
CID 130605081
(4-bromo-1-propylpyrazol-5-yl)-(4-butylcyclohexyl)methanamine
CID 105041317

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine (CID 114646840) is (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine is Cn1ncc(Br)c1C(N)C1CCCCC1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine?
The InChIKey is CFCUMMWDUOQBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3/c1-15-11(9(12)7-14-15)10(13)8-5-3-2-4-6-8/h7-8,10H,2-6,13H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine?
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine has a molecular weight of 272.19 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine is sourced from PubChem (CID 114646840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).