N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H19F3N4O2 — CID 135300426

IUPACN,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N4O2/c1-4-25(5-2)18(27)15-11-17-23-14(12-6-8-13(28-3)9-7-12)10-16(19(20,21)22)26(17)24-15/h6-11H,4-5H2,1-3H3
InChIKeyKKSBTXFEGXIKAR-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.91
Rot. Bonds5

About N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 135300426) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID135300426
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)C(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N4O2/c1-4-25(5-2)18(27)15-11-17-23-14(12-6-8-13(28-3)9-7-12)10-16(19(20,21)22)26(17)24-15/h6-11H,4-5H2,1-3H3
InChIKeyKKSBTXFEGXIKAR-UHFFFAOYSA-N
XLogP3.91
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 135300426) is N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)C(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is KKSBTXFEGXIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-4-25(5-2)18(27)15-11-17-23-14(12-6-8-13(28-3)9-7-12)10-16(19(20,21)22)26(17)24-15/h6-11H,4-5H2,1-3H3.
What are the key properties of N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 135300426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).