N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C17H15F3N6O — CID 137449530

IUPACN-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cc(F)c2F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H15F3N6O/c1-21-14-6-13(24-12-5-8(18)4-11(19)15(12)20)25-16-10(7-22-26(14)16)17(27)23-9-2-3-9/h4-7,9,21H,2-3H2,1H3,(H,23,27)(H,24,25)
InChIKeyAZNHZBSVCNSRHG-UHFFFAOYSA-N
MW376.34 g/mol
LogP2.82
Rot. Bonds5

About N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449530) has the molecular formula C17H15F3N6O and a molecular weight of 376.34 g/mol. Its IUPAC name is N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449530
Molecular FormulaC17H15F3N6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC NameN-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cc(F)cc(F)c2F)nc2c(C(=O)NC3CC3)cnn12
InChIInChI=1S/C17H15F3N6O/c1-21-14-6-13(24-12-5-8(18)4-11(19)15(12)20)25-16-10(7-22-26(14)16)17(27)23-9-2-3-9/h4-7,9,21H,2-3H2,1H3,(H,23,27)(H,24,25)
InChIKeyAZNHZBSVCNSRHG-UHFFFAOYSA-N
XLogP2.82
TPSA83.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.34
LogP ≤ 52.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449530) is N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cc(F)cc(F)c2F)nc2c(C(=O)NC3CC3)cnn12.
What is the InChIKey of N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is AZNHZBSVCNSRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O/c1-21-14-6-13(24-12-5-8(18)4-11(19)15(12)20)25-16-10(7-22-26(14)16)17(27)23-9-2-3-9/h4-7,9,21H,2-3H2,1H3,(H,23,27)(H,24,25).
What are the key properties of N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 376.34 g/mol, XLogP of 2.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-(methylamino)-5-(2,3,5-trifluoroanilino)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).