1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

C12H14BrN3 — CID 62730652

IUPAC1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C12H14BrN3/c1-14-6-10-7-15-16(8-10)9-11-4-2-3-5-12(11)13/h2-5,7-8,14H,6,9H2,1H3
InChIKeyFIHIXHXLWOIQEM-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.41
Rot. Bonds4

About 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine

1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (PubChem CID 62730652) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
PubChem CID62730652
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
SMILESCNCc1cnn(Cc2ccccc2Br)c1
InChIInChI=1S/C12H14BrN3/c1-14-6-10-7-15-16(8-10)9-11-4-2-3-5-12(11)13/h2-5,7-8,14H,6,9H2,1H3
InChIKeyFIHIXHXLWOIQEM-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 62731931
1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730298
1-[1-[(2-fluoro-3-methoxyphenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104794788
1-[1-[(5-bromo-2-pyridinyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 104811703
1-[1-[(2,4-difluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 55110682
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 55110447
1-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine
CID 62730113
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-ethylpropan-1-amine
CID 55109411
N-methyl-1-[4-[(4-phenylpyrazol-1-yl)methyl]phenyl]methanamine
CID 62771701
N-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]ethanamine
CID 60699444
1-[1-(2,2-difluoro-2-phenylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 116790455
2-[2-[(4-bromopyrazol-1-yl)methyl]phenyl]-N-methylethanamine
CID 115464339

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine (CID 62730652) is 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is CNCc1cnn(Cc2ccccc2Br)c1.
What is the InChIKey of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
The InChIKey is FIHIXHXLWOIQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-14-6-10-7-15-16(8-10)9-11-4-2-3-5-12(11)13/h2-5,7-8,14H,6,9H2,1H3.
What are the key properties of 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine?
1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine has a molecular weight of 280.17 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-bromophenyl)methyl]pyrazol-4-yl]-N-methylmethanamine is sourced from PubChem (CID 62730652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).