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

C13H16BrN3O — CID 117494937

IUPAC5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(Br)cc(-c2cc(N)n[nH]2)c1C(C)C
InChIInChI=1S/C13H16BrN3O/c1-7(2)13-9(10-6-12(15)17-16-10)4-8(14)5-11(13)18-3/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyCIBOXDCNPWDFCY-UHFFFAOYSA-N
MW310.20 g/mol
LogP3.55
Rot. Bonds3

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

5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine (PubChem CID 117494937) has the molecular formula C13H16BrN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
PubChem CID117494937
Molecular FormulaC13H16BrN3O
Molecular Weight310.20 g/mol
Exact Mass309.05
IUPAC Name5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine
SMILESCOc1cc(Br)cc(-c2cc(N)n[nH]2)c1C(C)C
InChIInChI=1S/C13H16BrN3O/c1-7(2)13-9(10-6-12(15)17-16-10)4-8(14)5-11(13)18-3/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyCIBOXDCNPWDFCY-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-3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117496003
5-(3-bromo-5-propan-2-ylphenyl)-1H-pyrazol-3-amine
CID 117449534
5-(2-bromo-3-methoxy-6-methylphenyl)-1H-pyrazol-3-amine
CID 117453081
4-(3-amino-1H-pyrazol-5-yl)-2,5-dimethoxyphenol
CID 137017080
5-bromo-3-methoxy-2-propan-2-ylphenol
CID 84704901
5-(3-bromo-4-methoxyphenyl)-1H-pyrazol-3-amine
CID 3614347
5-(3-amino-1H-pyrazol-5-yl)-2,4-dimethoxybenzoic acid
CID 117412042
2-(5-bromo-3-methoxy-2-propan-2-ylphenyl)propan-2-ol
CID 117463264
5-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-3-amine
CID 117426026
5-(2-fluoro-5-methoxy-4-methylphenyl)-1H-pyrazol-3-amine
CID 117315411
5-[4,5-dimethoxy-2-(methoxymethyl)phenyl]-1H-pyrazol-3-amine
CID 117412508
2-(3-amino-1H-pyrazol-5-yl)-4-methoxy-5-methylphenol
CID 136993747

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine (CID 117494937) is 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine is COc1cc(Br)cc(-c2cc(N)n[nH]2)c1C(C)C.
What is the InChIKey of 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine?
The InChIKey is CIBOXDCNPWDFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-7(2)13-9(10-6-12(15)17-16-10)4-8(14)5-11(13)18-3/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine?
5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-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 5-(5-bromo-3-methoxy-2-propan-2-ylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117494937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).