4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine

C12H14BrN3O2 — CID 42639134

IUPAC4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1cc(Br)c(-c2c(N)n[nH]c2C)cc1OC
InChIInChI=1S/C12H14BrN3O2/c1-6-11(12(14)16-15-6)7-4-9(17-2)10(18-3)5-8(7)13/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyZAVSBDKPNUZIOC-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.75
Rot. Bonds3

About 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine

4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine (PubChem CID 42639134) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
PubChem CID42639134
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine
SMILESCOc1cc(Br)c(-c2c(N)n[nH]c2C)cc1OC
InChIInChI=1S/C12H14BrN3O2/c1-6-11(12(14)16-15-6)7-4-9(17-2)10(18-3)5-8(7)13/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyZAVSBDKPNUZIOC-UHFFFAOYSA-N
XLogP2.75
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromo-2,5-dimethoxyphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3589215
5-bromo-6-methoxy-1H-indazol-3-amine
CID 155294306
3-(2-bromo-4,5-dimethoxyphenyl)pyrazin-2-amine
CID 112559128
3-bromo-5-methoxy-6-methylpyridin-2-amine
CID 130133402
4-(4-methoxyphenyl)-5-methyl-1H-pyrazol-3-amine;hydrochloride
CID 75530669
6-bromo-5-methoxy-3-methyl-2H-indazole
CID 176567040
4-(cyclopropen-1-yl)-5-methyl-1H-pyrazol-3-amine
CID 176900304
3-(2,5-dimethoxy-4-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82479888
4-(2,6-dimethyl-3-pyridinyl)-5-methyl-1H-pyrazol-3-amine
CID 59078635
4-methoxy-5-methyl-1H-pyrazol-3-amine
CID 45078788
[2-(2-bromo-4,5-dimethoxyphenyl)-5-fluoro-6-methylpyrimidin-4-yl]hydrazine
CID 66000247
5-bromo-6-fluoro-3-methoxypyridin-2-amine
CID 135201063

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine (CID 42639134) is 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine is COc1cc(Br)c(-c2c(N)n[nH]c2C)cc1OC.
What is the InChIKey of 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
The InChIKey is ZAVSBDKPNUZIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-6-11(12(14)16-15-6)7-4-9(17-2)10(18-3)5-8(7)13/h4-5H,1-3H3,(H3,14,15,16).
What are the key properties of 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine?
4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine has a molecular weight of 312.17 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-4,5-dimethoxyphenyl)-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 42639134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).