N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

C14H14F3N5O2 — CID 136566745

IUPACN-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-8-9(21-22-10)11(23)20-13(2-6-24-7-3-13)12-18-4-1-5-19-12/h1,4-5,8H,2-3,6-7H2,(H,20,23)(H,21,22)
InChIKeyCETCEGYUQFVCNQ-UHFFFAOYSA-N
MW341.29 g/mol
LogP1.65
Rot. Bonds3

About N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide

N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (PubChem CID 136566745) has the molecular formula C14H14F3N5O2 and a molecular weight of 341.29 g/mol. Its IUPAC name is N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
PubChem CID136566745
Molecular FormulaC14H14F3N5O2
Molecular Weight341.29 g/mol
Exact Mass341.11
IUPAC NameN-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide
SMILESO=C(NC1(c2ncccn2)CCOCC1)c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C14H14F3N5O2/c15-14(16,17)10-8-9(21-22-10)11(23)20-13(2-6-24-7-3-13)12-18-4-1-5-19-12/h1,4-5,8H,2-3,6-7H2,(H,20,23)(H,21,22)
InChIKeyCETCEGYUQFVCNQ-UHFFFAOYSA-N
XLogP1.65
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.29
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide (CID 136566745) is N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is O=C(NC1(c2ncccn2)CCOCC1)c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is CETCEGYUQFVCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N5O2/c15-14(16,17)10-8-9(21-22-10)11(23)20-13(2-6-24-7-3-13)12-18-4-1-5-19-12/h1,4-5,8H,2-3,6-7H2,(H,20,23)(H,21,22).
What are the key properties of N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide?
N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 341.29 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrimidin-2-yloxan-4-yl)-5-(trifluoromethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 136566745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).