1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide

C10H12F3N3O2 — CID 175719674

IUPAC1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2(C(F)(F)F)CCOCC2)c1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(1-3-18-4-2-9)16-6-7(5-15-16)8(14)17/h5-6H,1-4H2,(H2,14,17)
InChIKeyHVZXACPTPRKMDK-UHFFFAOYSA-N
MW263.22 g/mol
LogP1.05
Rot. Bonds2

About 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide

1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide (PubChem CID 175719674) has the molecular formula C10H12F3N3O2 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide
PubChem CID175719674
Molecular FormulaC10H12F3N3O2
Molecular Weight263.22 g/mol
Exact Mass263.09
IUPAC Name1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(C2(C(F)(F)F)CCOCC2)c1
InChIInChI=1S/C10H12F3N3O2/c11-10(12,13)9(1-3-18-4-2-9)16-6-7(5-15-16)8(14)17/h5-6H,1-4H2,(H2,14,17)
InChIKeyHVZXACPTPRKMDK-UHFFFAOYSA-N
XLogP1.05
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide (CID 175719674) is 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide is NC(=O)c1cnn(C2(C(F)(F)F)CCOCC2)c1.
What is the InChIKey of 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide?
The InChIKey is HVZXACPTPRKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O2/c11-10(12,13)9(1-3-18-4-2-9)16-6-7(5-15-16)8(14)17/h5-6H,1-4H2,(H2,14,17).
What are the key properties of 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide?
1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide has a molecular weight of 263.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)oxan-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 175719674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).