1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine

C9H13F2N3O — CID 155225179

IUPAC1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine
SMILESFC(F)n1cc(NC2CCOCC2)cn1
InChIInChI=1S/C9H13F2N3O/c10-9(11)14-6-8(5-12-14)13-7-1-3-15-4-2-7/h5-7,9,13H,1-4H2
InChIKeyPKXFMBOGJPNTLS-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.87
Rot. Bonds3

About 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine

1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine (PubChem CID 155225179) has the molecular formula C9H13F2N3O and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine
PubChem CID155225179
Molecular FormulaC9H13F2N3O
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Name1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine
SMILESFC(F)n1cc(NC2CCOCC2)cn1
InChIInChI=1S/C9H13F2N3O/c10-9(11)14-6-8(5-12-14)13-7-1-3-15-4-2-7/h5-7,9,13H,1-4H2
InChIKeyPKXFMBOGJPNTLS-UHFFFAOYSA-N
XLogP1.87
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-(oxan-4-yl)-1H-pyrazol-4-amine
CID 43608643
1-(oxan-2-yl)-1H-pyrazol-4-amine
CID 83814631
1-(oxan-4-yl)-1H-pyrazol-4-amine hydrochloride
CID 90281334
1-(Oxan-4-yl)-5-(trifluoromethyl)pyrazol-4-amine
CID 134970188
4,4,4-trifluoro-N-(1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)butanamide
CID 71810259
1-methyl-N-[(2S)-4,4,4-trifluorobutan-2-yl]pyrazol-4-amine
CID 99703565
1-(Tetrahydro-2H-pyran-4-YL)-1H-pyrazol-4-amine
CID 51063703
1-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazol-4-amine
CID 61490725
N-(3-methyloxolan-3-yl)-1-(2,2,2-trifluoroethyl)pyrazol-4-amine
CID 68053188
3-N'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]oxolane-3,3-diamine
CID 68305039
1-(1-Methylpyrazol-4-yl)-2-(trifluoromethyl)piperazine
CID 90240800
1-(2,2-difluoroethyl)-N-(oxan-4-yl)pyrazol-4-amine
CID 115777614

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine (CID 155225179) is 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine is FC(F)n1cc(NC2CCOCC2)cn1.
What is the InChIKey of 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine?
The InChIKey is PKXFMBOGJPNTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3O/c10-9(11)14-6-8(5-12-14)13-7-1-3-15-4-2-7/h5-7,9,13H,1-4H2.
What are the key properties of 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine?
1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine has a molecular weight of 217.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(oxan-4-yl)pyrazol-4-amine is sourced from PubChem (CID 155225179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).