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

C19H19F3N4O2 — CID 3104821

IUPACN-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCNC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N4O2/c1-3-4-9-23-18(27)15-11-17-24-14(12-5-7-13(28-2)8-6-12)10-16(19(20,21)22)26(17)25-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,27)
InChIKeyMTLVPWHEOKAOGY-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.95
Rot. Bonds6

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

N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 3104821) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID3104821
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC NameN-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCCCNC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C19H19F3N4O2/c1-3-4-9-23-18(27)15-11-17-24-14(12-5-7-13(28-2)8-6-12)10-16(19(20,21)22)26(17)25-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,27)
InChIKeyMTLVPWHEOKAOGY-UHFFFAOYSA-N
XLogP3.95
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 3104821) is N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCCCNC(=O)c1cc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2n1.
What is the InChIKey of N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MTLVPWHEOKAOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-3-4-9-23-18(27)15-11-17-24-14(12-5-7-13(28-2)8-6-12)10-16(19(20,21)22)26(17)25-15/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,27).
What are the key properties of N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 392.38 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 3104821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).