3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine

C12H21N3O — CID 82702523

IUPAC3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(CC2CCCO2)c(CC)c1N
InChIInChI=1S/C12H21N3O/c1-3-10-12(13)11(4-2)15(14-10)8-9-6-5-7-16-9/h9H,3-8,13H2,1-2H3
InChIKeyCVFSZFSSXRNBAZ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.77
Rot. Bonds4

About 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine

3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine (PubChem CID 82702523) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
PubChem CID82702523
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine
SMILESCCc1nn(CC2CCCO2)c(CC)c1N
InChIInChI=1S/C12H21N3O/c1-3-10-12(13)11(4-2)15(14-10)8-9-6-5-7-16-9/h9H,3-8,13H2,1-2H3
InChIKeyCVFSZFSSXRNBAZ-UHFFFAOYSA-N
XLogP1.77
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-diethyl-1-(oxan-4-ylmethyl)pyrazol-4-amine
CID 82702447
1-[3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82697043
1-[3,5-diethyl-1-(oxan-2-ylmethyl)pyrazol-4-yl]-N-methylethanamine
CID 82697632
3,5-diethyl-1-(oxan-2-ylmethyl)pyrazole-4-sulfonamide
CID 82700004
1-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]-N-methylmethanamine
CID 82697791
2-[3,5-diethyl-1-[2-(oxolan-2-yl)ethyl]pyrazol-4-yl]ethanamine
CID 82699798
5-methyl-1-[[(2R)-oxolan-2-yl]methyl]pyrazol-3-amine
CID 165471860
5-N,3-diethyl-1-methyl-5-N-(oxolan-2-ylmethyl)pyrazole-4,5-diamine
CID 66016004
3-(1-methylcyclopropyl)-1-(oxolan-2-ylmethyl)pyrazol-5-amine
CID 66642895
[1-(4-chloro-1,3-diethylpyrazol-5-yl)-3-(oxolan-2-yl)propan-2-yl]hydrazine
CID 105198758
[3,5-dimethyl-1-(oxolan-2-ylmethyl)pyrazol-4-yl]methanamine
CID 62550168
3,5-diethyl-1-(2-methylpropyl)pyrazol-4-amine
CID 82703146

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine (CID 82702523) is 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine is CCc1nn(CC2CCCO2)c(CC)c1N.
What is the InChIKey of 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
The InChIKey is CVFSZFSSXRNBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-10-12(13)11(4-2)15(14-10)8-9-6-5-7-16-9/h9H,3-8,13H2,1-2H3.
What are the key properties of 3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine?
3,5-diethyl-1-(oxolan-2-ylmethyl)pyrazol-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.77, 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-(oxolan-2-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 82702523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).