1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine

C17H33N3 — CID 82929816

IUPAC1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(CC(CC)CC)c1C
InChIInChI=1S/C17H33N3/c1-7-11-18-16(10-4)17-13(5)19-20(14(17)6)12-15(8-2)9-3/h15-16,18H,7-12H2,1-6H3
InChIKeyJTYSHTIADRCLGF-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.39
Rot. Bonds9

About 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 82929816) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID82929816
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1c(C)nn(CC(CC)CC)c1C
InChIInChI=1S/C17H33N3/c1-7-11-18-16(10-4)17-13(5)19-20(14(17)6)12-15(8-2)9-3/h15-16,18H,7-12H2,1-6H3
InChIKeyJTYSHTIADRCLGF-UHFFFAOYSA-N
XLogP4.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 80694491
N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 63514038
1-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 55110541
1-[1-(4-methoxybutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 104649593
1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62732283
1-[3,5-dimethyl-1-(oxan-4-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731742
1-(3,5-dimethyl-1-pentan-2-ylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107886970
1-[3,5-dimethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731385
4-(1-chloropropyl)-1-(2-ethylhexyl)-3,5-dimethylpyrazole
CID 55223281
1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 55110774
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105125446
N-[1-[1-(cyclopropylmethyl)-3,5-dimethylpyrazol-4-yl]ethyl]propan-1-amine
CID 62731006

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine (CID 82929816) is 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1c(C)nn(CC(CC)CC)c1C.
What is the InChIKey of 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is JTYSHTIADRCLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-7-11-18-16(10-4)17-13(5)19-20(14(17)6)12-15(8-2)9-3/h15-16,18H,7-12H2,1-6H3.
What are the key properties of 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 82929816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).