3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine

C12H22N4 — CID 107462376

IUPAC3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCC1CCCNC1
InChIInChI=1S/C12H22N4/c1-3-11-12(9-16(2)15-11)14-8-10-5-4-6-13-7-10/h9-10,13-14H,3-8H2,1-2H3
InChIKeySWGLMXQWLUDNPW-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.39
Rot. Bonds4

About 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine

3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine (PubChem CID 107462376) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
PubChem CID107462376
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(C)cc1NCC1CCCNC1
InChIInChI=1S/C12H22N4/c1-3-11-12(9-16(2)15-11)14-8-10-5-4-6-13-7-10/h9-10,13-14H,3-8H2,1-2H3
InChIKeySWGLMXQWLUDNPW-UHFFFAOYSA-N
XLogP1.39
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-1-methylpyrazol-4-yl)-3-piperidin-3-ylpropanamide
CID 107463133
1-methyl-N-[[(3S)-piperidin-3-yl]methyl]pyrazol-4-amine
CID 130523385
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624449
3-ethyl-1-methyl-4-nitro-N-(piperidin-3-ylmethyl)pyrazol-5-amine
CID 66016613
1,3-dimethyl-N-(piperidin-3-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119460247
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102804461
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-3-amine
CID 107462403
N-(2,2-dimethylpropyl)-3-ethyl-1-methylpyrazol-4-amine
CID 115898031
2-(diethylaminomethyl)-N-(piperidin-3-ylmethyl)aniline
CID 80554129
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
4-ethyl-5-methyl-2-(piperidin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136740938

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine (CID 107462376) is 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine is CCc1nn(C)cc1NCC1CCCNC1.
What is the InChIKey of 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine?
The InChIKey is SWGLMXQWLUDNPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-3-11-12(9-16(2)15-11)14-8-10-5-4-6-13-7-10/h9-10,13-14H,3-8H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine?
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine has a molecular weight of 222.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 107462376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).