1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine

C18H35N3 — CID 82700574

IUPAC1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)nn(CCC(C)(C)C)c1CC
InChIInChI=1S/C18H35N3/c1-8-14(19-11-4)17-15(9-2)20-21(16(17)10-3)13-12-18(5,6)7/h14,19H,8-13H2,1-7H3
InChIKeyWXKFMBWRZMBWQR-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.50
Rot. Bonds8

About 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine

1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine (PubChem CID 82700574) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
PubChem CID82700574
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine
SMILESCCNC(CC)c1c(CC)nn(CCC(C)(C)C)c1CC
InChIInChI=1S/C18H35N3/c1-8-14(19-11-4)17-15(9-2)20-21(16(17)10-3)13-12-18(5,6)7/h14,19H,8-13H2,1-7H3
InChIKeyWXKFMBWRZMBWQR-UHFFFAOYSA-N
XLogP4.50
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-methylethanamine
CID 82697460
1-[3,5-diethyl-1-(2-ethylbutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 82926182
1-[3,5-diethyl-1-(4-methoxybutyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 104649625
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]ethanol
CID 82697842
1-[1-(2-ethoxyethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700734
1-[1-(3-ethoxypropyl)-3,5-diethylpyrazol-4-yl]-N-methylpropan-1-amine
CID 82696841
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 116618001
1-[3,5-diethyl-1-(3-methoxy-3-methylbutyl)pyrazol-4-yl]propan-1-amine
CID 103037060
1-[1-(cyclobutylmethyl)-3,5-diethylpyrazol-4-yl]-N-propylpropan-1-amine
CID 82700738
1-[3,5-diethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697642
1-[3,5-diethyl-1-[2-(trifluoromethylsulfanyl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 116618002
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole-4-sulfonyl chloride
CID 82694926

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine?
The IUPAC name of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine (CID 82700574) is 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine is CCNC(CC)c1c(CC)nn(CCC(C)(C)C)c1CC.
What is the InChIKey of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine?
The InChIKey is WXKFMBWRZMBWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-8-14(19-11-4)17-15(9-2)20-21(16(17)10-3)13-12-18(5,6)7/h14,19H,8-13H2,1-7H3.
What are the key properties of 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine?
1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-dimethylbutyl)-3,5-diethylpyrazol-4-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 82700574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).