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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Related Compounds

1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82698912
4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole
CID 82699339
1-(1-butan-2-yl-3,5-diethylpyrazol-4-yl)propan-2-amine
CID 82699939
1-[3,5-diethyl-1-(3-fluoropropyl)pyrazol-4-yl]propan-2-amine
CID 82698914
ethyl 1-(3-methylcyclohexyl)-5-(2-methylpropyl)triazole-4-carboxylate
CID 103108569
1-(3,5-dimethylcyclohexyl)-3,5-diethylpyrazole-4-carbaldehyde
CID 82697766
1-[1-(3,4-dimethylcyclohexyl)-3,5-diethylpyrazol-4-yl]propan-1-amine
CID 82700162
3,5-diethyl-1-(3-methylsulfonylcyclohexyl)pyrazol-4-amine
CID 82703237
1-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)propan-1-ol
CID 82700773
3,5-diethyl-4-iodo-1-(3-methoxycyclohexyl)pyrazole
CID 82702481
1-[1-[(4-chlorophenyl)methyl]-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82700096

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).