(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine

C13H22BrN3 — CID 107191459

IUPAC(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCn1ncc(Br)c1C(N)C1CCCCC1(C)C
InChIInChI=1S/C13H22BrN3/c1-13(2)7-5-4-6-9(13)11(15)12-10(14)8-16-17(12)3/h8-9,11H,4-7,15H2,1-3H3
InChIKeyUCUTYSMWFMVVSA-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.40
Rot. Bonds2

About (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine

(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107191459) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107191459
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCn1ncc(Br)c1C(N)C1CCCCC1(C)C
InChIInChI=1S/C13H22BrN3/c1-13(2)7-5-4-6-9(13)11(15)12-10(14)8-16-17(12)3/h8-9,11H,4-7,15H2,1-3H3
InChIKeyUCUTYSMWFMVVSA-UHFFFAOYSA-N
XLogP3.40
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191465
(4-bromo-1-methylpyrazol-5-yl)-cyclohexylmethanamine
CID 114646840
1-(4-bromo-1-methylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105054241
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191035
2-[5-[amino-(2,2-dimethylcyclopentyl)methyl]-4-chloropyrazol-1-yl]-N,N-dimethylethanamine
CID 107190917
(2,2-dimethylcyclohexyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 107191239
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105054014
(4-bromo-2,5-dimethylphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177827
1-[amino-(4-bromo-1-methylpyrazol-5-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 114657001
(2-bromo-4-methoxyphenyl)-(2,2-dimethylcyclohexyl)methanamine
CID 107177622

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine (CID 107191459) is (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine is Cn1ncc(Br)c1C(N)C1CCCCC1(C)C.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is UCUTYSMWFMVVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-13(2)7-5-4-6-9(13)11(15)12-10(14)8-16-17(12)3/h8-9,11H,4-7,15H2,1-3H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine has a molecular weight of 300.24 g/mol, XLogP of 3.40, 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)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107191459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).