N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine

C12H14BrN3 — CID 115751708

IUPACN-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2ccccc2Br)nn1C
InChIInChI=1S/C12H14BrN3/c1-9-7-12(15-16(9)2)14-8-10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHAVOUDKVPAOLPO-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.10
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine

N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 115751708) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID115751708
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC NameN-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCc1cc(NCc2ccccc2Br)nn1C
InChIInChI=1S/C12H14BrN3/c1-9-7-12(15-16(9)2)14-8-10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3,(H,14,15)
InChIKeyHAVOUDKVPAOLPO-UHFFFAOYSA-N
XLogP3.10
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
N-[(2,6-dimethylphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113349771
N-[(2-bromophenyl)methyl]-6-hydrazinyl-2-methylpyrimidin-4-amine
CID 80898933
2-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-4-methylphenol
CID 113290187
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966
4-N-[(2-bromophenyl)methyl]-2-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80794152
2-bromo-N-(1,5-dimethylpyrazol-3-yl)benzamide
CID 39854030
N-[(2-bromophenyl)methyl]-5-methylpyridazin-3-amine
CID 106549621
N-(1,3-benzothiazol-2-ylmethyl)-1,5-dimethylpyrazol-3-amine
CID 114253553
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167521
1-(1,5-dimethylpyrazol-3-yl)-3-(2-ethylphenyl)urea
CID 108813453
2-[(2-bromophenyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114765939

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine (CID 115751708) is N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine is Cc1cc(NCc2ccccc2Br)nn1C.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is HAVOUDKVPAOLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-9-7-12(15-16(9)2)14-8-10-5-3-4-6-11(10)13/h3-7H,8H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine?
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 280.17 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 115751708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).