2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol

C12H14BrN3O — CID 117477121

IUPAC2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(-c2cn[nH]c2N)cc1Br
InChIInChI=1S/C12H14BrN3O/c1-6(2)7-4-11(17)8(3-10(7)13)9-5-15-16-12(9)14/h3-6,17H,1-2H3,(H3,14,15,16)
InChIKeySPIHCJZMPFYREL-UHFFFAOYSA-N
MW296.17 g/mol
LogP3.25
Rot. Bonds2

About 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol

2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol (PubChem CID 117477121) has the molecular formula C12H14BrN3O and a molecular weight of 296.17 g/mol. Its IUPAC name is 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol
PubChem CID117477121
Molecular FormulaC12H14BrN3O
Molecular Weight296.17 g/mol
Exact Mass295.03
IUPAC Name2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(-c2cn[nH]c2N)cc1Br
InChIInChI=1S/C12H14BrN3O/c1-6(2)7-4-11(17)8(3-10(7)13)9-5-15-16-12(9)14/h3-6,17H,1-2H3,(H3,14,15,16)
InChIKeySPIHCJZMPFYREL-UHFFFAOYSA-N
XLogP3.25
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.17
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-amino-1H-pyrazol-4-yl)-4,5-dimethylphenol
CID 117291747
4-(5-ethyl-2-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117331142
2-(5-amino-1H-pyrazol-4-yl)-4-(dimethylamino)phenol
CID 117311058
4-(5-bromo-2-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117494952
5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoic acid
CID 117341582
4-(5-amino-1H-pyrazol-4-yl)-3-fluorophenol
CID 117283395
methyl 5-(5-amino-1H-pyrazol-4-yl)-2,4-dihydroxybenzoate
CID 117375287
4-(3-phenyl-4-propan-2-ylphenyl)-1H-pyrazol-5-amine
CID 117444749
2-(5-amino-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenol
CID 117359096
4-(5-amino-1H-pyrazol-4-yl)-2-bromo-3-fluorophenol
CID 117432533
4-(5-bromo-4-fluoro-2-methylphenyl)-1H-pyrazol-5-amine
CID 117428214
4-[5-(difluoromethyl)-2-methylphenyl]-1H-pyrazol-5-amine
CID 117319233

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol?
The IUPAC name of 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol (CID 117477121) is 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol.
What is the SMILES notation for 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol?
The canonical SMILES for 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol is CC(C)c1cc(O)c(-c2cn[nH]c2N)cc1Br.
What is the InChIKey of 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol?
The InChIKey is SPIHCJZMPFYREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O/c1-6(2)7-4-11(17)8(3-10(7)13)9-5-15-16-12(9)14/h3-6,17H,1-2H3,(H3,14,15,16).
What are the key properties of 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol?
2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol has a molecular weight of 296.17 g/mol, XLogP of 3.25, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1H-pyrazol-4-yl)-4-bromo-5-propan-2-ylphenol is sourced from PubChem (CID 117477121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).