N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

C17H24BrN3 — CID 102772120

IUPACN-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(Cc2ccc(CNC(C)(C)C)cc2Br)n1
InChIInChI=1S/C17H24BrN3/c1-12-8-13(2)21(20-12)11-15-7-6-14(9-16(15)18)10-19-17(3,4)5/h6-9,19H,10-11H2,1-5H3
InChIKeySCRONYFIBPJZJY-UHFFFAOYSA-N
MW350.30 g/mol
LogP4.20
Rot. Bonds4

About N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine

N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (PubChem CID 102772120) has the molecular formula C17H24BrN3 and a molecular weight of 350.30 g/mol. Its IUPAC name is N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
PubChem CID102772120
Molecular FormulaC17H24BrN3
Molecular Weight350.30 g/mol
Exact Mass349.12
IUPAC NameN-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
SMILESCc1cc(C)n(Cc2ccc(CNC(C)(C)C)cc2Br)n1
InChIInChI=1S/C17H24BrN3/c1-12-8-13(2)21(20-12)11-15-7-6-14(9-16(15)18)10-19-17(3,4)5/h6-9,19H,10-11H2,1-5H3
InChIKeySCRONYFIBPJZJY-UHFFFAOYSA-N
XLogP4.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
CID 104651144
N-[[5-[(3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 62447774
N-[[3-bromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768697
N-[[3-bromo-4-[(2-ethylpyrrolidin-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102768682
N-[[2-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62292753
N-[[2-bromo-4-[(tert-butylamino)methyl]phenyl]methyl]-N-ethylcyclopropanamine
CID 102769560
N-[[3-bromo-4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772070
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62448799
3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole;ethane
CID 144748277
N-[(3-bromo-4-fluorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 115572090
N-[[3-bromo-4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772164
N-[[3-bromo-4-[[2,2-difluoroethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 102771946

Frequently Asked Questions

What is the IUPAC name of N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine (CID 102772120) is N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is Cc1cc(C)n(Cc2ccc(CNC(C)(C)C)cc2Br)n1.
What is the InChIKey of N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
The InChIKey is SCRONYFIBPJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3/c1-12-8-13(2)21(20-12)11-15-7-6-14(9-16(15)18)10-19-17(3,4)5/h6-9,19H,10-11H2,1-5H3.
What are the key properties of N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine?
N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine has a molecular weight of 350.30 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-bromo-4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 102772120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).