N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C14H13F3N6O — CID 138008872

IUPACN-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1cnc(CCNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C14H13F3N6O/c1-22-7-9(20-8-22)2-4-19-13(24)10-6-12-18-5-3-11(14(15,16)17)23(12)21-10/h3,5-8H,2,4H2,1H3,(H,19,24)
InChIKeyXIUGYAQDISQCTJ-UHFFFAOYSA-N
MW338.29 g/mol
LogP1.45
Rot. Bonds4

About N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 138008872) has the molecular formula C14H13F3N6O and a molecular weight of 338.29 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID138008872
Molecular FormulaC14H13F3N6O
Molecular Weight338.29 g/mol
Exact Mass338.11
IUPAC NameN-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCn1cnc(CCNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c1
InChIInChI=1S/C14H13F3N6O/c1-22-7-9(20-8-22)2-4-19-13(24)10-6-12-18-5-3-11(14(15,16)17)23(12)21-10/h3,5-8H,2,4H2,1H3,(H,19,24)
InChIKeyXIUGYAQDISQCTJ-UHFFFAOYSA-N
XLogP1.45
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 138008872) is N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is Cn1cnc(CCNC(=O)c2cc3nccc(C(F)(F)F)n3n2)c1.
What is the InChIKey of N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XIUGYAQDISQCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N6O/c1-22-7-9(20-8-22)2-4-19-13(24)10-6-12-18-5-3-11(14(15,16)17)23(12)21-10/h3,5-8H,2,4H2,1H3,(H,19,24).
What are the key properties of N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 338.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-4-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 138008872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).