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

C17H31N3O — CID 107137535

IUPACN-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nn(C2CCCOC2)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C17H31N3O/c1-6-15-14(11-18-17(3,4)5)16(7-2)20(19-15)13-9-8-10-21-12-13/h13,18H,6-12H2,1-5H3
InChIKeyKUHRSICWJPOBSX-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.25
Rot. Bonds5

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

N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (PubChem CID 107137535) 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-2-amine.

Molecular Properties

Compound NameN-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
PubChem CID107137535
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-2-amine
SMILESCCc1nn(C2CCCOC2)c(CC)c1CNC(C)(C)C
InChIInChI=1S/C17H31N3O/c1-6-15-14(11-18-17(3,4)5)16(7-2)20(19-15)13-9-8-10-21-12-13/h13,18H,6-12H2,1-5H3
InChIKeyKUHRSICWJPOBSX-UHFFFAOYSA-N
XLogP3.25
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107137537
N-[[1-(cyclopentylmethyl)-3,5-diethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700479
4-(chloromethyl)-3,5-diethyl-1-(oxan-4-yl)pyrazole
CID 82700063
N-[[3,5-diethyl-1-(2-fluoroethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82697645
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 82697373
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 62731903
N-[[3,5-diethyl-1-(2-methylpentyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 82700478
N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441750
1-(1-cyclohexyl-3,5-diethylpyrazol-4-yl)butan-2-amine
CID 82700380
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
4-(chloromethyl)-3,5-diethyl-1-(4-methylcyclohexyl)pyrazole
CID 82699339
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine (CID 107137535) is N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine is CCc1nn(C2CCCOC2)c(CC)c1CNC(C)(C)C.
What is the InChIKey of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is KUHRSICWJPOBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-6-15-14(11-18-17(3,4)5)16(7-2)20(19-15)13-9-8-10-21-12-13/h13,18H,6-12H2,1-5H3.
What are the key properties of N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine?
N-[[3,5-diethyl-1-(oxan-3-yl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 3.25, 5 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-2-amine is sourced from PubChem (CID 107137535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).