N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine

C15H27ClN4 — CID 50952219

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CN(C)CCN1CCCCC1C
InChIInChI=1S/C15H27ClN4/c1-12-7-5-6-8-20(12)10-9-18(3)11-14-13(2)17-19(4)15(14)16/h12H,5-11H2,1-4H3
InChIKeyBEQHSTBHQXESEZ-UHFFFAOYSA-N
MW298.86 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine (PubChem CID 50952219) has the molecular formula C15H27ClN4 and a molecular weight of 298.86 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
PubChem CID50952219
Molecular FormulaC15H27ClN4
Molecular Weight298.86 g/mol
Exact Mass298.19
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine
SMILESCc1nn(C)c(Cl)c1CN(C)CCN1CCCCC1C
InChIInChI=1S/C15H27ClN4/c1-12-7-5-6-8-20(12)10-9-18(3)11-14-13(2)17-19(4)15(14)16/h12H,5-11H2,1-4H3
InChIKeyBEQHSTBHQXESEZ-UHFFFAOYSA-N
XLogP2.69
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.86
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine
CID 60795954
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]ethanamine
CID 124754878
N-methyl-2-(2-methylpiperidin-1-yl)-N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
CID 46984007
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 124753653
[1,3-dimethyl-4-[(2-methylpiperidin-1-yl)methyl]pyrazol-5-yl]hydrazine
CID 62244988
5-bromo-N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methylpentan-1-amine
CID 107204911
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]acetate
CID 62027451
methyl 3-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propanoate
CID 62013204
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744710
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl-methylamino]propan-2-ol
CID 62334987
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N'-hydroxypyrrolidine-2-carboximidamide
CID 104862078
1-[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-2-methylpiperidine
CID 43122170

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine (CID 50952219) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine is Cc1nn(C)c(Cl)c1CN(C)CCN1CCCCC1C.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
The InChIKey is BEQHSTBHQXESEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN4/c1-12-7-5-6-8-20(12)10-9-18(3)11-14-13(2)17-19(4)15(14)16/h12H,5-11H2,1-4H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine has a molecular weight of 298.86 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-2-(2-methylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 50952219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).