2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine

C13H24N4 — CID 105498199

IUPAC2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
SMILESCc1nn(C2CCN(C)CC2)c(C)c1CCN
InChIInChI=1S/C13H24N4/c1-10-13(4-7-14)11(2)17(15-10)12-5-8-16(3)9-6-12/h12H,4-9,14H2,1-3H3
InChIKeyFWDAGUUQYKWDRW-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.27
Rot. Bonds3

About 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine

2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine (PubChem CID 105498199) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
PubChem CID105498199
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine
SMILESCc1nn(C2CCN(C)CC2)c(C)c1CCN
InChIInChI=1S/C13H24N4/c1-10-13(4-7-14)11(2)17(15-10)12-5-8-16(3)9-6-12/h12H,4-9,14H2,1-3H3
InChIKeyFWDAGUUQYKWDRW-UHFFFAOYSA-N
XLogP1.27
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)propan-1-amine
CID 79225212
2-(1-cyclopropyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105438944
2-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)ethanol
CID 105498185
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
3-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 79225067
2-[1,3-dimethyl-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]ethanamine
CID 63783708
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]pyrazol-5-amine
CID 63782929
3-[3,5-dimethyl-1-(1-methylazetidin-3-yl)pyrazol-4-yl]propanoic acid
CID 105499204
3-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79224992
1-(1-cyclopentyl-3,5-dimethylpyrazol-4-yl)butan-2-amine
CID 62730242
1-(1-cycloheptyl-3,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 61272512
4-iodo-3-methyl-1-(1-methylpyrrolidin-3-yl)pyrazol-5-amine
CID 62975269

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine?
The IUPAC name of 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine (CID 105498199) is 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine is Cc1nn(C2CCN(C)CC2)c(C)c1CCN.
What is the InChIKey of 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine?
The InChIKey is FWDAGUUQYKWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-13(4-7-14)11(2)17(15-10)12-5-8-16(3)9-6-12/h12H,4-9,14H2,1-3H3.
What are the key properties of 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine?
2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(1-methylpiperidin-4-yl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 105498199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).