1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine

C16H28N4 — CID 107110067

IUPAC1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine
SMILESCCC1CCCCC1N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C16H28N4/c1-2-13-5-3-4-6-15(13)19-10-7-14(8-11-19)20-12-9-16(17)18-20/h9,12-15H,2-8,10-11H2,1H3,(H2,17,18)
InChIKeyCQJGQTBTVSSGAA-UHFFFAOYSA-N
MW276.43 g/mol
LogP3.07
Rot. Bonds3

About 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine

1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine (PubChem CID 107110067) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine
PubChem CID107110067
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC Name1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine
SMILESCCC1CCCCC1N1CCC(n2ccc(N)n2)CC1
InChIInChI=1S/C16H28N4/c1-2-13-5-3-4-6-15(13)19-10-7-14(8-11-19)20-12-9-16(17)18-20/h9,12-15H,2-8,10-11H2,1H3,(H2,17,18)
InChIKeyCQJGQTBTVSSGAA-UHFFFAOYSA-N
XLogP3.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-cyclopentylsulfonylpiperidin-4-yl)pyrazol-3-amine
CID 107109344
1-(1-nonylpiperidin-4-yl)pyrazol-3-amine
CID 107109618
1-(1-heptylpiperidin-4-yl)pyrazol-3-amine
CID 107109683
1-[1-(2-cyclopropylethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109993
1-ethyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 20980731
1-[1-(2-butoxyethyl)piperidin-4-yl]pyrazol-3-amine
CID 107110055
1-[1-(oxan-2-ylmethyl)piperidin-4-yl]pyrazol-3-amine
CID 107109686
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]ethanamine
CID 63863007
2-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-N-ethyl-N-methylacetamide
CID 107109646
1-[1-(4-methylpentyl)piperidin-4-yl]pyrazol-3-amine
CID 107109773
4-[4-(3-aminopyrazol-1-yl)piperidin-1-yl]-2-methylbutan-2-ol
CID 107109591
4-(3-aminopyrazol-1-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 107109443

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine (CID 107110067) is 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine is CCC1CCCCC1N1CCC(n2ccc(N)n2)CC1.
What is the InChIKey of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine?
The InChIKey is CQJGQTBTVSSGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-2-13-5-3-4-6-15(13)19-10-7-14(8-11-19)20-12-9-16(17)18-20/h9,12-15H,2-8,10-11H2,1H3,(H2,17,18).
What are the key properties of 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine?
1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine has a molecular weight of 276.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylcyclohexyl)piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107110067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).