N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

C18H35N3 — CID 82700478

IUPACN-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Cn1nc(CC)c(CNC(C)(C)C)c1CC
InChIInChI=1S/C18H35N3/c1-8-11-14(4)13-21-17(10-3)15(16(9-2)20-21)12-19-18(5,6)7/h14,19H,8-13H2,1-7H3
InChIKeyWEBAUIVOWDOSNG-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.33
Rot. Bonds8

About N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine

N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 82700478) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID82700478
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCCC(C)Cn1nc(CC)c(CNC(C)(C)C)c1CC
InChIInChI=1S/C18H35N3/c1-8-11-14(4)13-21-17(10-3)15(16(9-2)20-21)12-19-18(5,6)7/h14,19H,8-13H2,1-7H3
InChIKeyWEBAUIVOWDOSNG-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 82700478) is N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCCC(C)Cn1nc(CC)c(CNC(C)(C)C)c1CC.
What is the InChIKey of N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is WEBAUIVOWDOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-8-11-14(4)13-21-17(10-3)15(16(9-2)20-21)12-19-18(5,6)7/h14,19H,8-13H2,1-7H3.
What are the key properties of N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.50 g/mol, XLogP of 4.33, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82700478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).