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

C9H13F2N3O — CID 122673375

IUPAC3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine
SMILESNc1cn(C2CCCCO2)nc1C(F)F
InChIInChI=1S/C9H13F2N3O/c10-9(11)8-6(12)5-14(13-8)7-3-1-2-4-15-7/h5,7,9H,1-4,12H2
InChIKeyHEBQIVLRNRIMSC-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.10
Rot. Bonds2

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

3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine (PubChem CID 122673375) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine
PubChem CID122673375
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine
SMILESNc1cn(C2CCCCO2)nc1C(F)F
InChIInChI=1S/C9H13F2N3O/c10-9(11)8-6(12)5-14(13-8)7-3-1-2-4-15-7/h5,7,9H,1-4,12H2
InChIKeyHEBQIVLRNRIMSC-UHFFFAOYSA-N
XLogP2.10
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281503
1-[1-(oxan-2-yl)-1H-pyrazol-5-yl]methanamine
CID 75485677
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine dihydrochloride
CID 126797068
1-(Oxan-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 134970188
1-(Oxan-2-yl)-3-(trifluoromethyl)-1H-pyraZole
CID 67468793
1-(4,4-Difluorocyclohexyl)-3-methylpyrazol-4-amine
CID 69281478
3-Methyl-1-(oxan-4-yl)-1H-pyrazol-4-amine
CID 69281508
1-(3-Fluorooxan-4-yl)-3-methylpyrazol-4-amine
CID 90010341
1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 116023728
1-(3-Fluorooxan-4-yl)-5-methylpyrazol-4-amine
CID 118280761
1-[3,3-Difluoro-1-(oxetan-3-yl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288860

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine?
The IUPAC name of 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine (CID 122673375) is 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine.
What is the SMILES notation for 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine?
The canonical SMILES for 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine is Nc1cn(C2CCCCO2)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine?
The InChIKey is HEBQIVLRNRIMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-9(11)8-6(12)5-14(13-8)7-3-1-2-4-15-7/h5,7,9H,1-4,12H2.
What are the key properties of 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine?
3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine has a molecular weight of 217.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(oxan-2-yl)pyrazol-4-amine is sourced from PubChem (CID 122673375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).