3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine

C13H23N3O — CID 82702447

IUPAC3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(CC2CCOCC2)c(CC)c1N
InChIInChI=1S/C13H23N3O/c1-3-11-13(14)12(4-2)16(15-11)9-10-5-7-17-8-6-10/h10H,3-9,14H2,1-2H3
InChIKeyQTYKIVXSDPIDMV-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.02
Rot. Bonds4

About 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine

3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine (PubChem CID 82702447) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine
PubChem CID82702447
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(CC2CCOCC2)c(CC)c1N
InChIInChI=1S/C13H23N3O/c1-3-11-13(14)12(4-2)16(15-11)9-10-5-7-17-8-6-10/h10H,3-9,14H2,1-2H3
InChIKeyQTYKIVXSDPIDMV-UHFFFAOYSA-N
XLogP2.02
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine (CID 82702447) is 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine is CCc1nn(CC2CCOCC2)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine?
The InChIKey is QTYKIVXSDPIDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-11-13(14)12(4-2)16(15-11)9-10-5-7-17-8-6-10/h10H,3-9,14H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine?
3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 82702447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).