6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H18F3N5O — CID 56721857

IUPAC6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC(F)(F)F)cnn2c1
InChIInChI=1S/C14H18F3N5O/c1-3-21(4-2)7-10-5-18-12-11(6-20-22(12)8-10)13(23)19-9-14(15,16)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,23)
InChIKeyHRBXJPGVEDNFQK-UHFFFAOYSA-N
MW329.33 g/mol
LogP1.86
Rot. Bonds6

About 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 56721857) has the molecular formula C14H18F3N5O and a molecular weight of 329.33 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID56721857
Molecular FormulaC14H18F3N5O
Molecular Weight329.33 g/mol
Exact Mass329.15
IUPAC Name6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCCN(CC)Cc1cnc2c(C(=O)NCC(F)(F)F)cnn2c1
InChIInChI=1S/C14H18F3N5O/c1-3-21(4-2)7-10-5-18-12-11(6-20-22(12)8-10)13(23)19-9-14(15,16)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,23)
InChIKeyHRBXJPGVEDNFQK-UHFFFAOYSA-N
XLogP1.86
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.33
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 56721857) is 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CCN(CC)Cc1cnc2c(C(=O)NCC(F)(F)F)cnn2c1.
What is the InChIKey of 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is HRBXJPGVEDNFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5O/c1-3-21(4-2)7-10-5-18-12-11(6-20-22(12)8-10)13(23)19-9-14(15,16)17/h5-6,8H,3-4,7,9H2,1-2H3,(H,19,23).
What are the key properties of 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 329.33 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 56721857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).