2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine

C15H20BrN3 — CID 116818979

IUPAC2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
SMILESCc1ccc(-n2nc(C(C)(C)CN)c(Br)c2C)cc1
InChIInChI=1S/C15H20BrN3/c1-10-5-7-12(8-6-10)19-11(2)13(16)14(18-19)15(3,4)9-17/h5-8H,9,17H2,1-4H3
InChIKeyZXURFXGTACTWQT-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.49
Rot. Bonds3

About 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine

2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine (PubChem CID 116818979) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
PubChem CID116818979
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
SMILESCc1ccc(-n2nc(C(C)(C)CN)c(Br)c2C)cc1
InChIInChI=1S/C15H20BrN3/c1-10-5-7-12(8-6-10)19-11(2)13(16)14(18-19)15(3,4)9-17/h5-8H,9,17H2,1-4H3
InChIKeyZXURFXGTACTWQT-UHFFFAOYSA-N
XLogP3.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
CID 116818988
2-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)-2-methylpropanoic acid
CID 116818938
[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
CID 116819017
2-[4-bromo-1-(2,5-dimethylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818956
[5-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methanamine
CID 115487122
[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116819019
4-(4-bromophenyl)-1-(4-methylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 100560964
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]propan-2-amine
CID 63816760
1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 62128723
(1R)-1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethanamine
CID 63369059
2-methyl-2-(4-methylphenyl)propan-1-amine;propane
CID 143028408
2-[3-tert-butyl-5-methoxy-1-(4-methylphenyl)pyrazol-4-yl]ethanol
CID 117124112

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The IUPAC name of 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine (CID 116818979) is 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The canonical SMILES for 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine is Cc1ccc(-n2nc(C(C)(C)CN)c(Br)c2C)cc1.
What is the InChIKey of 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine?
The InChIKey is ZXURFXGTACTWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-10-5-7-12(8-6-10)19-11(2)13(16)14(18-19)15(3,4)9-17/h5-8H,9,17H2,1-4H3.
What are the key properties of 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine?
2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine has a molecular weight of 322.25 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 116818979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).