3-deuterio-1-(oxan-2-yl)pyrazol-4-amine

C8H13N3O — CID 175855402

IUPAC3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
SMILES[2H]c1nn(C2CCCCO2)cc1N
InChIInChI=1S/C8H13N3O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4,9H2/i5D
InChIKeyWFVIVFUPBWZTNO-UICOGKGYSA-N
MW168.22 g/mol
LogP1.16
Rot. Bonds1

About 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine

3-deuterio-1-(oxan-2-yl)pyrazol-4-amine (PubChem CID 175855402) has the molecular formula C8H13N3O and a molecular weight of 168.22 g/mol. Its IUPAC name is 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
PubChem CID175855402
Molecular FormulaC8H13N3O
Molecular Weight168.22 g/mol
Exact Mass168.11
IUPAC Name3-deuterio-1-(oxan-2-yl)pyrazol-4-amine
SMILES[2H]c1nn(C2CCCCO2)cc1N
InChIInChI=1S/C8H13N3O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4,9H2/i5D
InChIKeyWFVIVFUPBWZTNO-UICOGKGYSA-N
XLogP1.16
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-1-[(2S)-oxan-2-yl]pyrazole
CID 124506510
5-[1-(oxan-2-yl)pyrazol-4-yl]pyridin-2-amine
CID 171770243
ethane;4-methyl-1-(oxan-2-yl)pyrazole
CID 145071415
5-[1-[(2S)-oxan-2-yl]pyrazol-4-yl]pyrimidine
CID 126433846
3-[1-(oxan-2-yl)pyrazol-4-yl]-5-(trifluoromethyl)aniline
CID 171392147
3-bromo-1-(oxan-2-yl)pyrazol-4-amine
CID 130133317
4-[2,5-difluoro-4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]-1-(oxan-2-yl)pyrazole
CID 140928225
1-(oxan-2-yl)pyrazole-4-carboxylic acid;hydrofluoride
CID 89454227
3-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]cyclobutan-1-amine
CID 167978748
4-bromo-1-(oxolan-2-yl)pyrazole
CID 130806899
[1-[4-[1-(oxan-2-yl)pyrazol-4-yl]phenyl]piperidin-4-yl]methanamine
CID 169094860
5-fluoro-2-methoxy-4-[1-(oxan-2-yl)pyrazol-4-yl]aniline
CID 156699124

Frequently Asked Questions

What is the IUPAC name of 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine?
The IUPAC name of 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine (CID 175855402) is 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine?
The canonical SMILES for 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine is [2H]c1nn(C2CCCCO2)cc1N.
What is the InChIKey of 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine?
The InChIKey is WFVIVFUPBWZTNO-UICOGKGYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4,9H2/i5D.
What are the key properties of 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine?
3-deuterio-1-(oxan-2-yl)pyrazol-4-amine has a molecular weight of 168.22 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-deuterio-1-(oxan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 175855402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).