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

C17H31N3O — CID 107137537

IUPACN-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nn(C2CCCOC2)c(CC)c1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-5-16-15(11-18-10-13(3)4)17(6-2)20(19-16)14-8-7-9-21-12-14/h13-14,18H,5-12H2,1-4H3
InChIKeyWOANZEMXJODYMF-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.11
Rot. Bonds7

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

N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 107137537) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID107137537
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC NameN-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCc1nn(C2CCCOC2)c(CC)c1CNCC(C)C
InChIInChI=1S/C17H31N3O/c1-5-16-15(11-18-10-13(3)4)17(6-2)20(19-16)14-8-7-9-21-12-14/h13-14,18H,5-12H2,1-4H3
InChIKeyWOANZEMXJODYMF-UHFFFAOYSA-N
XLogP3.11
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 107137537) is N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCc1nn(C2CCCOC2)c(CC)c1CNCC(C)C.
What is the InChIKey of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WOANZEMXJODYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-16-15(11-18-10-13(3)4)17(6-2)20(19-16)14-8-7-9-21-12-14/h13-14,18H,5-12H2,1-4H3.
What are the key properties of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 107137537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).