N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H13F3N6O2 — CID 46191142

IUPACN-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1
InChIInChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)
InChIKeyGZFDPJXFJXZZAQ-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.04
Rot. Bonds4

About N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46191142) has the molecular formula C18H13F3N6O2 and a molecular weight of 402.34 g/mol. Its IUPAC name is N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46191142
Molecular FormulaC18H13F3N6O2
Molecular Weight402.34 g/mol
Exact Mass402.11
IUPAC NameN-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1
InChIInChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28)
InChIKeyGZFDPJXFJXZZAQ-UHFFFAOYSA-N
XLogP4.04
TPSA97.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46191142) is N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3ccc(Nc4cccc(C(F)(F)F)c4)nc23)on1.
What is the InChIKey of N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is GZFDPJXFJXZZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N6O2/c1-10-7-15(29-26-10)25-17(28)13-9-22-27-6-5-14(24-16(13)27)23-12-4-2-3-11(8-12)18(19,20)21/h2-9H,1H3,(H,23,24)(H,25,28).
What are the key properties of N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 402.34 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyl-1,2-oxazol-5-yl)-5-[3-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46191142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).