[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine

C14H18BrN3O — CID 84605964

IUPAC[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCOc1ccc(-c2n[nH]c(CN)c2Br)cc1C(C)C
InChIInChI=1S/C14H18BrN3O/c1-8(2)10-6-9(4-5-12(10)19-3)14-13(15)11(7-16)17-18-14/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyBOTPAHPLMCRIKA-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.43
Rot. Bonds4

About [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine

[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine (PubChem CID 84605964) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine.

Molecular Properties

Compound Name[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
PubChem CID84605964
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine
SMILESCOc1ccc(-c2n[nH]c(CN)c2Br)cc1C(C)C
InChIInChI=1S/C14H18BrN3O/c1-8(2)10-6-9(4-5-12(10)19-3)14-13(15)11(7-16)17-18-14/h4-6,8H,7,16H2,1-3H3,(H,17,18)
InChIKeyBOTPAHPLMCRIKA-UHFFFAOYSA-N
XLogP3.43
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine with MolForge

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Related Compounds

[2-bromo-4-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605935
[4-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 84605901
[4-bromo-5-(4-methoxy-3-propan-2-ylphenyl)-2-methylpyrazol-3-yl]methanamine
CID 84611620
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
2-[4-(4-methoxy-3-propan-2-ylphenyl)-2-methyl-1H-imidazol-5-yl]ethanamine
CID 95475739
[4-bromo-3-(2,5-dimethoxy-4-methylphenyl)-1H-pyrazol-5-yl]methanamine
CID 84606646
[5-bromo-2-(4-methoxy-3-propan-2-ylphenyl)-3-methylimidazol-4-yl]methanamine
CID 84611572
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine?
The IUPAC name of [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine (CID 84605964) is [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine.
What is the SMILES notation for [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine?
The canonical SMILES for [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine is COc1ccc(-c2n[nH]c(CN)c2Br)cc1C(C)C.
What is the InChIKey of [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine?
The InChIKey is BOTPAHPLMCRIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-8(2)10-6-9(4-5-12(10)19-3)14-13(15)11(7-16)17-18-14/h4-6,8H,7,16H2,1-3H3,(H,17,18).
What are the key properties of [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine?
[4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine has a molecular weight of 324.22 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazol-5-yl]methanamine is sourced from PubChem (CID 84605964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).