N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride

C11H19BrClN3 — CID 166449724

IUPACN-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
SMILESCl.Cn1cc(Br)c(CNC2CCCCC2)n1
InChIInChI=1S/C11H18BrN3.ClH/c1-15-8-10(12)11(14-15)7-13-9-5-3-2-4-6-9;/h8-9,13H,2-7H2,1H3;1H
InChIKeyUZPFJTHJJDSCDF-UHFFFAOYSA-N
MW308.65 g/mol
LogP3.03
Rot. Bonds3

About N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride

N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride (PubChem CID 166449724) has the molecular formula C11H19BrClN3 and a molecular weight of 308.65 g/mol. Its IUPAC name is N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride.

Molecular Properties

Compound NameN-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
PubChem CID166449724
Molecular FormulaC11H19BrClN3
Molecular Weight308.65 g/mol
Exact Mass307.05
IUPAC NameN-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride
SMILESCl.Cn1cc(Br)c(CNC2CCCCC2)n1
InChIInChI=1S/C11H18BrN3.ClH/c1-15-8-10(12)11(14-15)7-13-9-5-3-2-4-6-9;/h8-9,13H,2-7H2,1H3;1H
InChIKeyUZPFJTHJJDSCDF-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.65
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]-3-cyclopentylpyrrolidine-1-carboxamide
CID 128854687
1-[(4-bromo-1-methylpyrazol-3-yl)methyl]piperidine
CID 131212413
N-[(4-bromo-1-methylimidazol-2-yl)methyl]cyclopentanamine
CID 117187124
1-[(4-bromo-1-methylpyrazol-3-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122016380
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-propylcycloheptan-1-amine
CID 115989316
N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79485221
N-[(2-methyl-5-phenyltriazol-4-yl)methyl]cyclohexanamine
CID 94073947
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]cyclohexanamine
CID 60762129
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
CID 80681774
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
1-(4-bromo-1-methylpyrazol-3-yl)-N-(cyclopropylmethyl)methanesulfonamide
CID 154783218

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride?
The IUPAC name of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride (CID 166449724) is N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride.
What is the SMILES notation for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride?
The canonical SMILES for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride is Cl.Cn1cc(Br)c(CNC2CCCCC2)n1.
What is the InChIKey of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride?
The InChIKey is UZPFJTHJJDSCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3.ClH/c1-15-8-10(12)11(14-15)7-13-9-5-3-2-4-6-9;/h8-9,13H,2-7H2,1H3;1H.
What are the key properties of N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride?
N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride has a molecular weight of 308.65 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1-methylpyrazol-3-yl)methyl]cyclohexanamine;hydrochloride is sourced from PubChem (CID 166449724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).