5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine

C13H16BrN3 — CID 113490535

IUPAC5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2C(C)C)cc1Br
InChIInChI=1S/C13H16BrN3/c1-7(2)11-12(16-17-13(11)15)9-5-4-8(3)10(14)6-9/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyXWKYDJYCVZBIEI-UHFFFAOYSA-N
MW294.20 g/mol
LogP3.85
Rot. Bonds2

About 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine

5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 113490535) has the molecular formula C13H16BrN3 and a molecular weight of 294.20 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine
PubChem CID113490535
Molecular FormulaC13H16BrN3
Molecular Weight294.20 g/mol
Exact Mass293.05
IUPAC Name5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine
SMILESCc1ccc(-c2[nH]nc(N)c2C(C)C)cc1Br
InChIInChI=1S/C13H16BrN3/c1-7(2)11-12(16-17-13(11)15)9-5-4-8(3)10(14)6-9/h4-7H,1-3H3,(H3,15,16,17)
InChIKeyXWKYDJYCVZBIEI-UHFFFAOYSA-N
XLogP3.85
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.20
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromo-4-methylphenyl)-4-(3-fluorophenyl)-1H-pyrazol-3-amine
CID 81460309
5-(3-bromo-4-chlorophenyl)-4-methyl-1H-pyrazol-3-amine
CID 107988567
2-(3-bromo-4-methylphenyl)-4,6-dichloro-5-propan-2-ylpyrimidine
CID 105407998
5-[4-bromo-2-(trifluoromethyl)phenyl]-4-propan-2-yl-1H-pyrazol-3-amine
CID 107332999
5-(4-fluoro-3-methylphenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63210575
1-[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 104881000
5-(3-bromo-4-methylphenyl)-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 69076409
4-(2-bromophenyl)-5-(3,5-dimethylphenyl)-1H-pyrazol-3-amine
CID 62831030
5-(5-bromothiophen-3-yl)-4-(4-methylphenyl)-1H-pyrazol-3-amine
CID 107962702
2-(3-bromo-4-methylphenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 105410430
5-(4-chloro-3-methylphenyl)-4-iodo-1H-pyrazol-3-amine
CID 3613182
2-(3-bromo-4-methylphenyl)-5-iodo-6-(2-methylpropyl)pyrimidin-4-amine
CID 105410505

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine (CID 113490535) is 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine is Cc1ccc(-c2[nH]nc(N)c2C(C)C)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is XWKYDJYCVZBIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3/c1-7(2)11-12(16-17-13(11)15)9-5-4-8(3)10(14)6-9/h4-7H,1-3H3,(H3,15,16,17).
What are the key properties of 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine?
5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 294.20 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-4-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 113490535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).