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

C15H26BrN3 — CID 107191008

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)C1CCCCC1(C)C
InChIInChI=1S/C15H26BrN3/c1-10(2)19-14(12(16)9-18-19)13(17)11-7-5-6-8-15(11,3)4/h9-11,13H,5-8,17H2,1-4H3
InChIKeySUECCXYHDBKFET-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.44
Rot. Bonds3

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

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine (PubChem CID 107191008) has the molecular formula C15H26BrN3 and a molecular weight of 328.30 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
PubChem CID107191008
Molecular FormulaC15H26BrN3
Molecular Weight328.30 g/mol
Exact Mass327.13
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
SMILESCC(C)n1ncc(Br)c1C(N)C1CCCCC1(C)C
InChIInChI=1S/C15H26BrN3/c1-10(2)19-14(12(16)9-18-19)13(17)11-7-5-6-8-15(11,3)4/h9-11,13H,5-8,17H2,1-4H3
InChIKeySUECCXYHDBKFET-UHFFFAOYSA-N
XLogP4.44
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191459
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanamine
CID 105042259
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
CID 114661786
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107191035
6-bicyclo[3.1.0]hexanyl-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 115835341
1-(4-bromo-1-methylpyrazol-5-yl)-1-(2,2-dimethylcyclopentyl)-N-methylmethanamine
CID 107191465
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
N-[(4-bromo-1-ethylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methyl]propan-1-amine
CID 107190949
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
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

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine (CID 107191008) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine is CC(C)n1ncc(Br)c1C(N)C1CCCCC1(C)C.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
The InChIKey is SUECCXYHDBKFET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26BrN3/c1-10(2)19-14(12(16)9-18-19)13(17)11-7-5-6-8-15(11,3)4/h9-11,13H,5-8,17H2,1-4H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine has a molecular weight of 328.30 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 107191008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).