N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C12H13F3N4O2 — CID 127266142

IUPACN-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC(O)C(F)(F)F)C(=O)c1cc2ncccn2n1
InChIInChI=1S/C12H13F3N4O2/c1-2-18(7-9(20)12(13,14)15)11(21)8-6-10-16-4-3-5-19(10)17-8/h3-6,9,20H,2,7H2,1H3
InChIKeyAIZRGDVVVCGKNN-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.11
Rot. Bonds4

About N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 127266142) has the molecular formula C12H13F3N4O2 and a molecular weight of 302.26 g/mol. Its IUPAC name is N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID127266142
Molecular FormulaC12H13F3N4O2
Molecular Weight302.26 g/mol
Exact Mass302.10
IUPAC NameN-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC(O)C(F)(F)F)C(=O)c1cc2ncccn2n1
InChIInChI=1S/C12H13F3N4O2/c1-2-18(7-9(20)12(13,14)15)11(21)8-6-10-16-4-3-5-19(10)17-8/h3-6,9,20H,2,7H2,1H3
InChIKeyAIZRGDVVVCGKNN-UHFFFAOYSA-N
XLogP1.11
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 127266142) is N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC(O)C(F)(F)F)C(=O)c1cc2ncccn2n1.
What is the InChIKey of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is AIZRGDVVVCGKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O2/c1-2-18(7-9(20)12(13,14)15)11(21)8-6-10-16-4-3-5-19(10)17-8/h3-6,9,20H,2,7H2,1H3.
What are the key properties of N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 302.26 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 127266142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).