[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine

C15H18BrN3 — CID 116819019

IUPAC[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1cccc(-n2nc(C3(CN)CC3)c(Br)c2C)c1
InChIInChI=1S/C15H18BrN3/c1-10-4-3-5-12(8-10)19-11(2)13(16)14(18-19)15(9-17)6-7-15/h3-5,8H,6-7,9,17H2,1-2H3
InChIKeyHQFUPZVHALLTND-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.24
Rot. Bonds3

About [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine

[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine (PubChem CID 116819019) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
PubChem CID116819019
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name[1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1cccc(-n2nc(C3(CN)CC3)c(Br)c2C)c1
InChIInChI=1S/C15H18BrN3/c1-10-4-3-5-12(8-10)19-11(2)13(16)14(18-19)15(9-17)6-7-15/h3-5,8H,6-7,9,17H2,1-2H3
InChIKeyHQFUPZVHALLTND-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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Related Compounds

[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
CID 116819017
[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818525
[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]methanamine
CID 82076540
[3,5-dimethyl-1-(3-methylphenyl)pyrazol-4-yl]methanamine;hydrochloride
CID 68802903
2-[4-bromo-1-(3-methoxyphenyl)-5-methylpyrazol-3-yl]-2-methylpropan-1-amine
CID 116818988
[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818996
[1-(3-methylphenyl)-5-propan-2-ylpyrazol-3-yl]methanamine
CID 82081655
5-(2-aminoethyl)-1-(3-methylphenyl)pyrazol-3-amine
CID 83864052
4-(aminomethyl)-1-(3-methylphenyl)piperidin-4-ol
CID 82286378
3-[5-bromo-1-(3-methylphenyl)pyrazol-4-yl]propan-1-amine
CID 115053250
2-[4-bromo-5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-2-methylpropan-1-amine
CID 116818979
[4-(fluoromethyl)-1-(3-methylphenyl)piperidin-4-yl]methanamine
CID 115041666

Frequently Asked Questions

What is the IUPAC name of [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine (CID 116819019) is [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine is Cc1cccc(-n2nc(C3(CN)CC3)c(Br)c2C)c1.
What is the InChIKey of [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The InChIKey is HQFUPZVHALLTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-10-4-3-5-12(8-10)19-11(2)13(16)14(18-19)15(9-17)6-7-15/h3-5,8H,6-7,9,17H2,1-2H3.
What are the key properties of [1-[4-bromo-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
[1-[4-bromo-5-methyl-1-(3-methylphenyl)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-5-methyl-1-(3-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116819019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).