N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide

C13H12F3N5O2 — CID 166318382

IUPACN-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESO=C(Nc1cncnc1-n1cccn1)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)8-4-10(23-6-8)12(22)20-9-5-17-7-18-11(9)21-3-1-2-19-21/h1-3,5,7-8,10H,4,6H2,(H,20,22)
InChIKeyIMUYEYWLRXXVON-UHFFFAOYSA-N
MW327.27 g/mol
LogP1.57
Rot. Bonds3

About N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide

N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide (PubChem CID 166318382) has the molecular formula C13H12F3N5O2 and a molecular weight of 327.27 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
PubChem CID166318382
Molecular FormulaC13H12F3N5O2
Molecular Weight327.27 g/mol
Exact Mass327.09
IUPAC NameN-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
SMILESO=C(Nc1cncnc1-n1cccn1)C1CC(C(F)(F)F)CO1
InChIInChI=1S/C13H12F3N5O2/c14-13(15,16)8-4-10(23-6-8)12(22)20-9-5-17-7-18-11(9)21-3-1-2-19-21/h1-3,5,7-8,10H,4,6H2,(H,20,22)
InChIKeyIMUYEYWLRXXVON-UHFFFAOYSA-N
XLogP1.57
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The IUPAC name of N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide (CID 166318382) is N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The canonical SMILES for N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide is O=C(Nc1cncnc1-n1cccn1)C1CC(C(F)(F)F)CO1.
What is the InChIKey of N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
The InChIKey is IMUYEYWLRXXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5O2/c14-13(15,16)8-4-10(23-6-8)12(22)20-9-5-17-7-18-11(9)21-3-1-2-19-21/h1-3,5,7-8,10H,4,6H2,(H,20,22).
What are the key properties of N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide?
N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide has a molecular weight of 327.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylpyrimidin-5-yl)-4-(trifluoromethyl)oxolane-2-carboxamide is sourced from PubChem (CID 166318382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).