[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine

C15H18BrN3 — CID 116818996

IUPAC[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1ccc(-n2cc(Br)c(C3(CN)CC3)n2)c(C)c1
InChIInChI=1S/C15H18BrN3/c1-10-3-4-13(11(2)7-10)19-8-12(16)14(18-19)15(9-17)5-6-15/h3-4,7-8H,5-6,9,17H2,1-2H3
InChIKeyPVEXZIJVPNIDAA-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.24
Rot. Bonds3

About [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine

[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine (PubChem CID 116818996) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
PubChem CID116818996
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1ccc(-n2cc(Br)c(C3(CN)CC3)n2)c(C)c1
InChIInChI=1S/C15H18BrN3/c1-10-3-4-13(11(2)7-10)19-8-12(16)14(18-19)15(9-17)5-6-15/h3-4,7-8H,5-6,9,17H2,1-2H3
InChIKeyPVEXZIJVPNIDAA-UHFFFAOYSA-N
XLogP3.24
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine (CID 116818996) is [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine is Cc1ccc(-n2cc(Br)c(C3(CN)CC3)n2)c(C)c1.
What is the InChIKey of [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The InChIKey is PVEXZIJVPNIDAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-3-4-13(11(2)7-10)19-8-12(16)14(18-19)15(9-17)5-6-15/h3-4,7-8H,5-6,9,17H2,1-2H3.
What are the key properties of [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine has a molecular weight of 320.23 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116818996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).