3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

C14H17Br2N3 — CID 114373232

IUPAC3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1c(-c2cc(Br)ccc2Br)nn(C)c1N
InChIInChI=1S/C14H17Br2N3/c1-8(2)6-11-13(18-19(3)14(11)17)10-7-9(15)4-5-12(10)16/h4-5,7-8H,6,17H2,1-3H3
InChIKeyXESKEVFFTVJSEF-UHFFFAOYSA-N
MW387.12 g/mol
LogP4.39
Rot. Bonds3

About 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine

3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (PubChem CID 114373232) has the molecular formula C14H17Br2N3 and a molecular weight of 387.12 g/mol. Its IUPAC name is 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.

Molecular Properties

Compound Name3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
PubChem CID114373232
Molecular FormulaC14H17Br2N3
Molecular Weight387.12 g/mol
Exact Mass384.98
IUPAC Name3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
SMILESCC(C)Cc1c(-c2cc(Br)ccc2Br)nn(C)c1N
InChIInChI=1S/C14H17Br2N3/c1-8(2)6-11-13(18-19(3)14(11)17)10-7-9(15)4-5-12(10)16/h4-5,7-8H,6,17H2,1-3H3
InChIKeyXESKEVFFTVJSEF-UHFFFAOYSA-N
XLogP4.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.12
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81110742
3-(2,5-dibromophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 114373221
3-(4-bromo-2-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 115369365
3-(3-bromo-5-methylphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 104853079
3-(5-bromo-2-fluorophenyl)-4-ethyl-1-methylpyrazol-5-amine
CID 43670812
3-(2-fluoro-4-methoxyphenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 102883361
3-(4-bromo-2-fluorophenyl)-1-methyl-4-propylpyrazol-5-amine
CID 79405825
3-(2-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 81453840
1-methyl-4-(2-methylpropyl)-3-(1H-pyrazol-5-yl)pyrazol-5-amine
CID 63081015
3-(2-methoxy-3-pyridinyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 62874645
3-(4-chloro-3-fluorophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 107988602
3-(3-ethylthiophen-2-yl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine
CID 79975957

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The IUPAC name of 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine (CID 114373232) is 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine.
What is the SMILES notation for 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The canonical SMILES for 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is CC(C)Cc1c(-c2cc(Br)ccc2Br)nn(C)c1N.
What is the InChIKey of 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
The InChIKey is XESKEVFFTVJSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Br2N3/c1-8(2)6-11-13(18-19(3)14(11)17)10-7-9(15)4-5-12(10)16/h4-5,7-8H,6,17H2,1-3H3.
What are the key properties of 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine?
3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine has a molecular weight of 387.12 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dibromophenyl)-1-methyl-4-(2-methylpropyl)pyrazol-5-amine is sourced from PubChem (CID 114373232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).