N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine

C18H33N3 — CID 82700618

IUPACN-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(CC)nn(C2CCCCC2)c1CC
InChIInChI=1S/C18H33N3/c1-5-13-19-14(4)18-16(6-2)20-21(17(18)7-3)15-11-9-8-10-12-15/h14-15,19H,5-13H2,1-4H3
InChIKeyQORZVPADCYZGHW-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.57
Rot. Bonds7

About N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine

N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 82700618) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID82700618
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC NameN-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(C)c1c(CC)nn(C2CCCCC2)c1CC
InChIInChI=1S/C18H33N3/c1-5-13-19-14(4)18-16(6-2)20-21(17(18)7-3)15-11-9-8-10-12-15/h14-15,19H,5-13H2,1-4H3
InChIKeyQORZVPADCYZGHW-UHFFFAOYSA-N
XLogP4.57
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-N-methylpropan-1-amine
CID 82698034
1-(1-cyclopentyl-3,5-diethylpyrazol-4-yl)propan-1-ol
CID 82700773
N-[1-(3,5-diethyl-1-propan-2-ylpyrazol-4-yl)ethyl]propan-1-amine
CID 82698286
N-[1-[1-(2,2-difluoroethyl)-3,5-diethylpyrazol-4-yl]ethyl]propan-1-amine
CID 82697652
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-(1-cyclohexyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62730101
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)-2,2,2-trifluoroethanone
CID 82699740
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
3,5-diethyl-1-(4-methylcyclohexyl)pyrazole-4-carbaldehyde
CID 82697974
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine (CID 82700618) is N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(C)c1c(CC)nn(C2CCCCC2)c1CC.
What is the InChIKey of N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QORZVPADCYZGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-13-19-14(4)18-16(6-2)20-21(17(18)7-3)15-11-9-8-10-12-15/h14-15,19H,5-13H2,1-4H3.
What are the key properties of N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 82700618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).