4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine

C12H14BrN3O2 — CID 117496868

IUPAC4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C)c(-c2cn[nH]c2N)c(Br)c1OC
InChIInChI=1S/C12H14BrN3O2/c1-6-4-8(17-2)11(18-3)10(13)9(6)7-5-15-16-12(7)14/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyMIAGQRRTBSVKER-UHFFFAOYSA-N
MW312.17 g/mol
LogP2.75
Rot. Bonds3

About 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine

4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine (PubChem CID 117496868) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
PubChem CID117496868
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C)c(-c2cn[nH]c2N)c(Br)c1OC
InChIInChI=1S/C12H14BrN3O2/c1-6-4-8(17-2)11(18-3)10(13)9(6)7-5-15-16-12(7)14/h4-5H,1-3H3,(H3,14,15,16)
InChIKeyMIAGQRRTBSVKER-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

4-(2-chloro-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117422663
4-(2,5-dimethoxy-3,6-dimethylphenyl)-1H-pyrazol-5-amine
CID 117370721
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
5-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117496845
2-(5-amino-1H-pyrazol-4-yl)-6-bromo-3,4-dimethoxyphenol
CID 117499099
2-(5-amino-1H-pyrazol-4-yl)-6-methoxy-3,4-dimethylphenol
CID 117338166
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117452223
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(2-chloro-5-methoxy-4-methylphenyl)-1H-pyrazol-5-amine
CID 117348168
4-(2,3,5-trifluoro-6-methoxyphenyl)-1H-pyrazol-5-amine
CID 117359088
4-(4,7-dimethoxy-2,3-dihydro-1H-inden-5-yl)-1H-pyrazol-5-amine
CID 117401937

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine (CID 117496868) is 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine is COc1cc(C)c(-c2cn[nH]c2N)c(Br)c1OC.
What is the InChIKey of 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
The InChIKey is MIAGQRRTBSVKER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c1-6-4-8(17-2)11(18-3)10(13)9(6)7-5-15-16-12(7)14/h4-5H,1-3H3,(H3,14,15,16).
What are the key properties of 4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine?
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-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-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117496868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).