3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine

C13H23N3O — CID 82693590

IUPAC3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine
SMILESCCc1cc(CC)n(C2COCCC2NC)n1
InChIInChI=1S/C13H23N3O/c1-4-10-8-11(5-2)16(15-10)13-9-17-7-6-12(13)14-3/h8,12-14H,4-7,9H2,1-3H3
InChIKeySIYYJIURBNFLHH-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.56
Rot. Bonds4

About 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine

3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine (PubChem CID 82693590) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine
PubChem CID82693590
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine
SMILESCCc1cc(CC)n(C2COCCC2NC)n1
InChIInChI=1S/C13H23N3O/c1-4-10-8-11(5-2)16(15-10)13-9-17-7-6-12(13)14-3/h8,12-14H,4-7,9H2,1-3H3
InChIKeySIYYJIURBNFLHH-UHFFFAOYSA-N
XLogP1.56
TPSA39.08 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692230
N-[[2-(3,5-diethylpyrazol-1-yl)cyclobutyl]methyl]cyclopropanamine
CID 82693803
3-(3,5-diethylpyrazol-1-yl)-4-methylpiperidine
CID 82695446
2-(3,5-diethylpyrazol-1-yl)-1-(oxolan-3-yl)ethanone
CID 104751613
2-ethyl-7-(oxolan-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136838885
(1,3-diethylpyrazol-5-yl)-(oxolan-3-yl)methanol
CID 105097748
2-(3,5-diethylpyrazol-1-yl)-4-ethylcyclohexan-1-amine
CID 82692586
3-(3,5-diethylpyrazol-1-yl)-N-ethylcyclohexan-1-amine
CID 82692471
2-(3,5-diethylpyrazol-1-yl)-4-propylcyclohexan-1-ol
CID 82695455
3-(3,5-diethylpyrazol-1-yl)cyclopentan-1-amine
CID 82692472
N-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-2-(oxolan-3-yl)ethanamine
CID 114130531
[4-tert-butyl-2-(3,5-diethylpyrazol-1-yl)cyclohexyl]methanamine
CID 82696080

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine?
The IUPAC name of 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine (CID 82693590) is 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine.
What is the SMILES notation for 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine?
The canonical SMILES for 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine is CCc1cc(CC)n(C2COCCC2NC)n1.
What is the InChIKey of 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine?
The InChIKey is SIYYJIURBNFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-10-8-11(5-2)16(15-10)13-9-17-7-6-12(13)14-3/h8,12-14H,4-7,9H2,1-3H3.
What are the key properties of 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine?
3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-diethylpyrazol-1-yl)-N-methyloxan-4-amine is sourced from PubChem (CID 82693590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).