3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine

C12H14BrN3O — CID 116826928

IUPAC3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2ccc(OC)c(Br)c2)n[nH]c1C
InChIInChI=1S/C12H14BrN3O/c1-7-11(14-2)12(16-15-7)8-4-5-10(17-3)9(13)6-8/h4-6,14H,1-3H3,(H,15,16)
InChIKeyAGCYVOYZQXOWQX-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.20
Rot. Bonds3

About 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine

3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine (PubChem CID 116826928) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine.

Molecular Properties

Compound Name3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
PubChem CID116826928
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
SMILESCNc1c(-c2ccc(OC)c(Br)c2)n[nH]c1C
InChIInChI=1S/C12H14BrN3O/c1-7-11(14-2)12(16-15-7)8-4-5-10(17-3)9(13)6-8/h4-6,14H,1-3H3,(H,15,16)
InChIKeyAGCYVOYZQXOWQX-UHFFFAOYSA-N
XLogP3.20
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methoxy-4,5-dimethylphenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116826932
N,5-dimethyl-3-(6-methylnaphthalen-2-yl)-1H-pyrazol-4-amine
CID 116827019
4-(3-bromo-4-methoxyphenyl)-2,5-dimethyl-1,3-oxazole
CID 115051830
2-(3-bromo-4-methoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 55045736
N,5-dimethyl-3-pyridin-4-yl-1H-pyrazol-4-amine
CID 116827006
3-(2-bromophenyl)-N,5-dimethyl-1H-pyrazol-4-amine
CID 116827020
4-bromo-3-(3,4-dimethoxyphenyl)-1H-pyridazin-6-one
CID 10804945
3-(3-bromo-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine
CID 110538216
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
N,5-dimethyl-3-(1H-pyrrol-3-yl)-1H-pyrazol-4-amine
CID 136995812
4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 116821473
2-[4-(3-bromo-4-methoxyphenyl)-5-methyl-1H-pyrazol-3-yl]acetic acid
CID 84606320

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The IUPAC name of 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine (CID 116826928) is 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine.
What is the SMILES notation for 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The canonical SMILES for 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine is CNc1c(-c2ccc(OC)c(Br)c2)n[nH]c1C.
What is the InChIKey of 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
The InChIKey is AGCYVOYZQXOWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-7-11(14-2)12(16-15-7)8-4-5-10(17-3)9(13)6-8/h4-6,14H,1-3H3,(H,15,16).
What are the key properties of 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine?
3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine has a molecular weight of 296.17 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-methoxyphenyl)-N,5-dimethyl-1H-pyrazol-4-amine is sourced from PubChem (CID 116826928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).