1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine

C12H21BrN4 — CID 120839768

IUPAC1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2c(Br)c(C)nn2C)CC1
InChIInChI=1S/C12H21BrN4/c1-9-12(13)11(16(3)15-9)8-17-6-4-10(14-2)5-7-17/h10,14H,4-8H2,1-3H3
InChIKeyYVNSUFCDLIWWRS-UHFFFAOYSA-N
MW301.23 g/mol
LogP1.67
Rot. Bonds3

About 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine

1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine (PubChem CID 120839768) has the molecular formula C12H21BrN4 and a molecular weight of 301.23 g/mol. Its IUPAC name is 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine
PubChem CID120839768
Molecular FormulaC12H21BrN4
Molecular Weight301.23 g/mol
Exact Mass300.09
IUPAC Name1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2c(Br)c(C)nn2C)CC1
InChIInChI=1S/C12H21BrN4/c1-9-12(13)11(16(3)15-9)8-17-6-4-10(14-2)5-7-17/h10,14H,4-8H2,1-3H3
InChIKeyYVNSUFCDLIWWRS-UHFFFAOYSA-N
XLogP1.67
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine (CID 120839768) is 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine is CNC1CCN(Cc2c(Br)c(C)nn2C)CC1.
What is the InChIKey of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is YVNSUFCDLIWWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21BrN4/c1-9-12(13)11(16(3)15-9)8-17-6-4-10(14-2)5-7-17/h10,14H,4-8H2,1-3H3.
What are the key properties of 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine?
1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 301.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 120839768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).