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

C14H18BrN3 — CID 62446745

IUPAC1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Cn1nc(C)c(Br)c1C
InChIInChI=1S/C14H18BrN3/c1-10-14(15)11(2)18(17-10)9-13-7-5-4-6-12(13)8-16-3/h4-7,16H,8-9H2,1-3H3
InChIKeyWMZFERXBOZMZGN-UHFFFAOYSA-N
MW308.22 g/mol
LogP3.03
Rot. Bonds4

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

1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine (PubChem CID 62446745) has the molecular formula C14H18BrN3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
PubChem CID62446745
Molecular FormulaC14H18BrN3
Molecular Weight308.22 g/mol
Exact Mass307.07
IUPAC Name1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine
SMILESCNCc1ccccc1Cn1nc(C)c(Br)c1C
InChIInChI=1S/C14H18BrN3/c1-10-14(15)11(2)18(17-10)9-13-7-5-4-6-12(13)8-16-3/h4-7,16H,8-9H2,1-3H3
InChIKeyWMZFERXBOZMZGN-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 62446746
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylquinoline
CID 79032417
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62448799
2-amino-6-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoic acid
CID 104824961
N-[[3-bromo-4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]ethanamine
CID 102772070
4-bromo-1-[(2,5-difluorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128749
1-[2-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methoxy]-3-methylphenyl]-N-methylmethanamine
CID 115952144
1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)quinolin-3-yl]-N-methylmethanamine
CID 62128738
1-[1-[(3-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-methylmethanamine
CID 43647688
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107557701
4-bromo-3,5-dimethyl-1-(thiophen-2-ylmethyl)pyrazole
CID 62129771
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]methyl]propan-1-amine
CID 62447871

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine (CID 62446745) is 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine is CNCc1ccccc1Cn1nc(C)c(Br)c1C.
What is the InChIKey of 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine?
The InChIKey is WMZFERXBOZMZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3/c1-10-14(15)11(2)18(17-10)9-13-7-5-4-6-12(13)8-16-3/h4-7,16H,8-9H2,1-3H3.
What are the key properties of 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine?
1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine has a molecular weight of 308.22 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 62446745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).