N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C15H18F3N5O2 — CID 137018571

IUPACN-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H18F3N5O2/c1-22(8-15(16,17)18)14(25)10-7-20-23-11(6-12(24)21-13(10)23)9-2-4-19-5-3-9/h6-7,9,19H,2-5,8H2,1H3,(H,21,24)
InChIKeyKEAKCRGXDSWJEB-UHFFFAOYSA-N
MW357.34 g/mol
LogP1.12
Rot. Bonds3

About N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137018571) has the molecular formula C15H18F3N5O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137018571
Molecular FormulaC15H18F3N5O2
Molecular Weight357.34 g/mol
Exact Mass357.14
IUPAC NameN-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(CC(F)(F)F)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H18F3N5O2/c1-22(8-15(16,17)18)14(25)10-7-20-23-11(6-12(24)21-13(10)23)9-2-4-19-5-3-9/h6-7,9,19H,2-5,8H2,1H3,(H,21,24)
InChIKeyKEAKCRGXDSWJEB-UHFFFAOYSA-N
XLogP1.12
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137018571) is N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(CC(F)(F)F)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is KEAKCRGXDSWJEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2/c1-22(8-15(16,17)18)14(25)10-7-20-23-11(6-12(24)21-13(10)23)9-2-4-19-5-3-9/h6-7,9,19H,2-5,8H2,1H3,(H,21,24).
What are the key properties of N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 357.34 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137018571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).