1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine

C18H33N3 — CID 82700738

IUPAC1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(CC)nn(CC2CCC2)c1CC
InChIInChI=1S/C18H33N3/c1-5-12-19-15(6-2)18-16(7-3)20-21(17(18)8-4)13-14-10-9-11-14/h14-15,19H,5-13H2,1-4H3
InChIKeyZHWJNEGAFYCLSW-UHFFFAOYSA-N
MW291.48 g/mol
LogP4.26
Rot. Bonds9

About 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 82700738) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID82700738
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(CC)nn(CC2CCC2)c1CC
InChIInChI=1S/C18H33N3/c1-5-12-19-15(6-2)18-16(7-3)20-21(17(18)8-4)13-14-10-9-11-14/h14-15,19H,5-13H2,1-4H3
InChIKeyZHWJNEGAFYCLSW-UHFFFAOYSA-N
XLogP4.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697256
1-(1-benzyl-3,5-diethylpyrazol-4-yl)-N-propylpropan-1-amine
CID 82700730
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]propan-1-amine
CID 82697542
1-[1-(cyclopropylmethyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697298
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]propan-2-amine
CID 82698912
1-[3,5-diethyl-1-[(5-methyloxolan-2-yl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103139446
1-[1-(cyclohexylmethyl)-3,5-diethylpyrazol-4-yl]butan-2-amine
CID 82699804
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731742
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 82700574

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine (CID 82700738) is 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1c(CC)nn(CC2CCC2)c1CC.
What is the InChIKey of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is ZHWJNEGAFYCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3/c1-5-12-19-15(6-2)18-16(7-3)20-21(17(18)8-4)13-14-10-9-11-14/h14-15,19H,5-13H2,1-4H3.
What are the key properties of 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 82700738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).