N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide

C10H12F3N3O3 — CID 166513208

IUPACN-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide
SMILESCC(Oc1nn(C2COC2)cc1NC=O)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-6(10(11,12)13)19-9-8(14-5-17)2-16(15-9)7-3-18-4-7/h2,5-7H,3-4H2,1H3,(H,14,17)
InChIKeyHWSBKZIIOIHODE-UHFFFAOYSA-N
MW279.22 g/mol
LogP1.35
Rot. Bonds5

About N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide

N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide (PubChem CID 166513208) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide
PubChem CID166513208
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC NameN-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide
SMILESCC(Oc1nn(C2COC2)cc1NC=O)C(F)(F)F
InChIInChI=1S/C10H12F3N3O3/c1-6(10(11,12)13)19-9-8(14-5-17)2-16(15-9)7-3-18-4-7/h2,5-7H,3-4H2,1H3,(H,14,17)
InChIKeyHWSBKZIIOIHODE-UHFFFAOYSA-N
XLogP1.35
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide?
The IUPAC name of N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide (CID 166513208) is N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide?
The canonical SMILES for N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide is CC(Oc1nn(C2COC2)cc1NC=O)C(F)(F)F.
What is the InChIKey of N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide?
The InChIKey is HWSBKZIIOIHODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-6(10(11,12)13)19-9-8(14-5-17)2-16(15-9)7-3-18-4-7/h2,5-7H,3-4H2,1H3,(H,14,17).
What are the key properties of N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide?
N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide has a molecular weight of 279.22 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxetan-3-yl)-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-yl]formamide is sourced from PubChem (CID 166513208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).