1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine

C17H31N3 — CID 82700374

IUPAC1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine
SMILESCCc1nn(C2CCCC(C)C2)c(CC)c1CC(C)N
InChIInChI=1S/C17H31N3/c1-5-16-15(11-13(4)18)17(6-2)20(19-16)14-9-7-8-12(3)10-14/h12-14H,5-11,18H2,1-4H3
InChIKeySGOHEYIFKIDVRW-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.65
Rot. Bonds5

About 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine

1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine (PubChem CID 82700374) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine
PubChem CID82700374
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine
SMILESCCc1nn(C2CCCC(C)C2)c(CC)c1CC(C)N
InChIInChI=1S/C17H31N3/c1-5-16-15(11-13(4)18)17(6-2)20(19-16)14-9-7-8-12(3)10-14/h12-14H,5-11,18H2,1-4H3
InChIKeySGOHEYIFKIDVRW-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine?
The IUPAC name of 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine (CID 82700374) is 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine.
What is the SMILES notation for 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine?
The canonical SMILES for 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine is CCc1nn(C2CCCC(C)C2)c(CC)c1CC(C)N.
What is the InChIKey of 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine?
The InChIKey is SGOHEYIFKIDVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-5-16-15(11-13(4)18)17(6-2)20(19-16)14-9-7-8-12(3)10-14/h12-14H,5-11,18H2,1-4H3.
What are the key properties of 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine?
1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 3.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-diethyl-1-(3-methylcyclohexyl)pyrazol-4-yl]propan-2-amine is sourced from PubChem (CID 82700374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).