5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C20H14F3N5O — CID 2871076

IUPAC5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3n2)cc1
InChIInChI=1S/C20H14F3N5O/c1-12-4-6-13(7-5-12)15-9-17(20(21,22)23)28-18(26-15)10-16(27-28)19(29)25-14-3-2-8-24-11-14/h2-11H,1H3,(H,25,29)
InChIKeyNCUKOGHTTQLKAA-UHFFFAOYSA-N
MW397.36 g/mol
LogP4.37
Rot. Bonds3

About 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2871076) has the molecular formula C20H14F3N5O and a molecular weight of 397.36 g/mol. Its IUPAC name is 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2871076
Molecular FormulaC20H14F3N5O
Molecular Weight397.36 g/mol
Exact Mass397.12
IUPAC Name5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3n2)cc1
InChIInChI=1S/C20H14F3N5O/c1-12-4-6-13(7-5-12)15-9-17(20(21,22)23)28-18(26-15)10-16(27-28)19(29)25-14-3-2-8-24-11-14/h2-11H,1H3,(H,25,29)
InChIKeyNCUKOGHTTQLKAA-UHFFFAOYSA-N
XLogP4.37
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.36
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2871076) is 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4)cc3n2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is NCUKOGHTTQLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N5O/c1-12-4-6-13(7-5-12)15-9-17(20(21,22)23)28-18(26-15)10-16(27-28)19(29)25-14-3-2-8-24-11-14/h2-11H,1H3,(H,25,29).
What are the key properties of 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 397.36 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-N-pyridin-3-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2871076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).