N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

C18H35N3 — CID 63514038

IUPACN-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCCCC(CC)Cn1nc(C)c(C(CC)NCC)c1C
InChIInChI=1S/C18H35N3/c1-7-11-12-16(8-2)13-21-15(6)18(14(5)20-21)17(9-3)19-10-4/h16-17,19H,7-13H2,1-6H3
InChIKeyLECNRLHAOSXHLF-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.78
Rot. Bonds10

About N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine

N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (PubChem CID 63514038) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
PubChem CID63514038
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
SMILESCCCCC(CC)Cn1nc(C)c(C(CC)NCC)c1C
InChIInChI=1S/C18H35N3/c1-7-11-12-16(8-2)13-21-15(6)18(14(5)20-21)17(9-3)19-10-4/h16-17,19H,7-13H2,1-6H3
InChIKeyLECNRLHAOSXHLF-UHFFFAOYSA-N
XLogP4.78
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3,5-dimethyl-1-(2-methylpentyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62732283
1-[1-(2-ethylbutyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82929816
1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]ethanamine
CID 55110774
4-(1-chloropropyl)-1-(2-ethylhexyl)-3,5-dimethylpyrazole
CID 55223281
N-[[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63513000
N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
N-ethyl-1-[1-(3-methoxy-3-methylbutyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine
CID 103037035
1-(1-butyl-3,5-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 62731001
1-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 62730646
1-[1-(2-fluoroethyl)-3,5-dimethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 80694491
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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The IUPAC name of N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine (CID 63514038) is N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is CCCCC(CC)Cn1nc(C)c(C(CC)NCC)c1C.
What is the InChIKey of N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
The InChIKey is LECNRLHAOSXHLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-7-11-12-16(8-2)13-21-15(6)18(14(5)20-21)17(9-3)19-10-4/h16-17,19H,7-13H2,1-6H3.
What are the key properties of N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine?
N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-(2-ethylhexyl)-3,5-dimethylpyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 63514038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).