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

C11H19BrN4 — CID 83015012

IUPACN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine
SMILESCc1nn(C)c(CNN2CCCCC2)c1Br
InChIInChI=1S/C11H19BrN4/c1-9-11(12)10(15(2)14-9)8-13-16-6-4-3-5-7-16/h13H,3-8H2,1-2H3
InChIKeyPCXZHLLNFRAZGU-UHFFFAOYSA-N
MW287.20 g/mol
LogP1.98
Rot. Bonds3

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

N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine (PubChem CID 83015012) has the molecular formula C11H19BrN4 and a molecular weight of 287.20 g/mol. Its IUPAC name is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine.

Molecular Properties

Compound NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine
PubChem CID83015012
Molecular FormulaC11H19BrN4
Molecular Weight287.20 g/mol
Exact Mass286.08
IUPAC NameN-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine
SMILESCc1nn(C)c(CNN2CCCCC2)c1Br
InChIInChI=1S/C11H19BrN4/c1-9-11(12)10(15(2)14-9)8-13-16-6-4-3-5-7-16/h13H,3-8H2,1-2H3
InChIKeyPCXZHLLNFRAZGU-UHFFFAOYSA-N
XLogP1.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine?
The IUPAC name of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine (CID 83015012) is N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine.
What is the SMILES notation for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine?
The canonical SMILES for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine is Cc1nn(C)c(CNN2CCCCC2)c1Br.
What is the InChIKey of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine?
The InChIKey is PCXZHLLNFRAZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN4/c1-9-11(12)10(15(2)14-9)8-13-16-6-4-3-5-7-16/h13H,3-8H2,1-2H3.
What are the key properties of N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine?
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine has a molecular weight of 287.20 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-1-amine is sourced from PubChem (CID 83015012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).