4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

C13H16BrN3O — CID 117494945

IUPAC4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)C)cc(-c2cn[nH]c2N)c1Br
InChIInChI=1S/C13H16BrN3O/c1-7(2)8-4-9(10-6-16-17-13(10)15)12(14)11(5-8)18-3/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyVUXOLVYBZSWRKY-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.55
Rot. Bonds3

About 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine

4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 117494945) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
PubChem CID117494945
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCOc1cc(C(C)C)cc(-c2cn[nH]c2N)c1Br
InChIInChI=1S/C13H16BrN3O/c1-7(2)8-4-9(10-6-16-17-13(10)15)12(14)11(5-8)18-3/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyVUXOLVYBZSWRKY-UHFFFAOYSA-N
XLogP3.55
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
4-(2-fluoro-3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117346174
4-(2,5-dimethoxy-4-methylsulfanylphenyl)-1H-pyrazol-5-amine
CID 117417529
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426003
4-(4-chloro-2,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117387074
4-[4-(difluoromethyl)-2,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117426004
4-(4-fluoro-2-methoxyphenyl)-1H-pyrazol-5-amine
CID 117295551
4-(2-bromo-3,4-dimethoxy-6-methylphenyl)-1H-pyrazol-5-amine
CID 117496868
4-(3,5-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 978094

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine (CID 117494945) is 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine is COc1cc(C(C)C)cc(-c2cn[nH]c2N)c1Br.
What is the InChIKey of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is VUXOLVYBZSWRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-7(2)8-4-9(10-6-16-17-13(10)15)12(14)11(5-8)18-3/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine?
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine has a molecular weight of 310.20 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117494945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).