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

C13H16BrN3O — CID 117494952

IUPAC4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)cc(Br)cc1C(C)C
InChIInChI=1S/C13H16BrN3O/c1-7(2)9-4-8(14)5-10(12(9)18-3)11-6-16-17-13(11)15/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyCLVVAGJTYDCMSX-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.55
Rot. Bonds3

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

4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine (PubChem CID 117494952) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
PubChem CID117494952
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
SMILESCOc1c(-c2cn[nH]c2N)cc(Br)cc1C(C)C
InChIInChI=1S/C13H16BrN3O/c1-7(2)9-4-8(14)5-10(12(9)18-3)11-6-16-17-13(11)15/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyCLVVAGJTYDCMSX-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-(5-bromo-2,3-dimethoxyphenyl)-1H-pyrazol-5-amine
CID 117479828
4-(2,3-dimethoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117407752
3-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496000
4-(5-bromo-2,4-difluoro-3-methoxyphenyl)-1H-pyrazol-5-amine
CID 117488845
4-(2-bromo-3-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494945
4-(5-bromo-4-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-5-amine
CID 117482951
2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol
CID 117477121
4-[5-(difluoromethyl)-3-fluoro-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117395723
4-(3-bromo-4,5-dimethoxy-2-methylphenyl)-1H-pyrazol-5-amine
CID 117496878
4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117331142
4-[3-(1-fluoroethyl)-4,5-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117416880
4-[3-fluoro-5-(fluoromethyl)-2-methoxyphenyl]-1H-pyrazol-5-amine
CID 117350162

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine (CID 117494952) is 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine is COc1c(-c2cn[nH]c2N)cc(Br)cc1C(C)C.
What is the InChIKey of 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine?
The InChIKey is CLVVAGJTYDCMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-7(2)9-4-8(14)5-10(12(9)18-3)11-6-16-17-13(11)15/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine?
4-(5-bromo-2-methoxy-3-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-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 117494952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).