N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C13H12F3N7O — CID 44824570

IUPACN-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(Cn1ccc(C(F)(F)F)n1)NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C13H12F3N7O/c1-8(7-22-6-3-9(20-22)13(14,15)16)18-11(24)10-19-12-17-4-2-5-23(12)21-10/h2-6,8H,7H2,1H3,(H,18,24)
InChIKeyAOQIGHWWORZWGH-UHFFFAOYSA-N
MW339.28 g/mol
LogP1.16
Rot. Bonds4

About N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 44824570) has the molecular formula C13H12F3N7O and a molecular weight of 339.28 g/mol. Its IUPAC name is N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID44824570
Molecular FormulaC13H12F3N7O
Molecular Weight339.28 g/mol
Exact Mass339.11
IUPAC NameN-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCC(Cn1ccc(C(F)(F)F)n1)NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C13H12F3N7O/c1-8(7-22-6-3-9(20-22)13(14,15)16)18-11(24)10-19-12-17-4-2-5-23(12)21-10/h2-6,8H,7H2,1H3,(H,18,24)
InChIKeyAOQIGHWWORZWGH-UHFFFAOYSA-N
XLogP1.16
TPSA90.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 44824570) is N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CC(Cn1ccc(C(F)(F)F)n1)NC(=O)c1nc2ncccn2n1.
What is the InChIKey of N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AOQIGHWWORZWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N7O/c1-8(7-22-6-3-9(20-22)13(14,15)16)18-11(24)10-19-12-17-4-2-5-23(12)21-10/h2-6,8H,7H2,1H3,(H,18,24).
What are the key properties of N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 339.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 44824570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).