1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine

C13H24N4 — CID 103570717

IUPAC1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCCn1cc(C2C(CNC)CCCN2C)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-12(9-15-17)13-11(8-14-2)6-5-7-16(13)3/h9-11,13-14H,4-8H2,1-3H3
InChIKeyKRGAYGMMUONBDV-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.51
Rot. Bonds4

About 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine

1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine (PubChem CID 103570717) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
PubChem CID103570717
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
SMILESCCn1cc(C2C(CNC)CCCN2C)cn1
InChIInChI=1S/C13H24N4/c1-4-17-10-12(9-15-17)13-11(8-14-2)6-5-7-16(13)3/h9-11,13-14H,4-8H2,1-3H3
InChIKeyKRGAYGMMUONBDV-UHFFFAOYSA-N
XLogP1.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-ethylpyrazol-4-yl)-1-propylazepan-3-yl]-N-methylmethanamine
CID 103570754
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]ethanamine
CID 103573230
N-[[1-methyl-2-(1-propylpyrazol-4-yl)azepan-3-yl]methyl]propan-2-amine
CID 103573232
N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
1-[2-(1-ethylpyrazol-4-yl)-4-methylcyclohexyl]-N-methylmethanamine
CID 81025836
1-[2-(1,5-dimethylpyrazol-4-yl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 79584048
N-[[3-(1-ethylpyrazol-4-yl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 103570741
1-[2-(6-methoxy-3-pyridinyl)-1-methylazepan-3-yl]-N-methylmethanamine
CID 114938579
1-[2-(5-chloro-1,3-thiazol-2-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 107125538
N-[(1-ethylpyrazol-4-yl)methyl]-1-[(3R)-1-methylpiperidin-3-yl]methanamine
CID 94358827
1-ethyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 129006330
1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 115350578

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine (CID 103570717) is 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine is CCn1cc(C2C(CNC)CCCN2C)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
The InChIKey is KRGAYGMMUONBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-17-10-12(9-15-17)13-11(8-14-2)6-5-7-16(13)3/h9-11,13-14H,4-8H2,1-3H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine?
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine has a molecular weight of 236.36 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 103570717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).