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

C15H19ClF3N5O2 — CID 137251734

IUPACN-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCN(CC(F)(F)F)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C15H18F3N5O2.ClH/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);1H
InChIKeyROQGTCUVZFNABS-UHFFFAOYSA-N
MW393.80 g/mol
LogP1.55
Rot. Bonds3

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

N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride (PubChem CID 137251734) has the molecular formula C15H19ClF3N5O2 and a molecular weight of 393.80 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;hydrochloride.

Molecular Properties

Compound NameN-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
PubChem CID137251734
Molecular FormulaC15H19ClF3N5O2
Molecular Weight393.80 g/mol
Exact Mass393.12
IUPAC NameN-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
SMILESCN(CC(F)(F)F)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl
InChIInChI=1S/C15H18F3N5O2.ClH/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);1H
InChIKeyROQGTCUVZFNABS-UHFFFAOYSA-N
XLogP1.55
TPSA82.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.80
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;hydrochloride?
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;hydrochloride (CID 137251734) is N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride.
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;hydrochloride?
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;hydrochloride is CN(CC(F)(F)F)C(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.Cl.
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;hydrochloride?
The InChIKey is ROQGTCUVZFNABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O2.ClH/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);1H.
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;hydrochloride?
N-methyl-5-oxo-7-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride has a molecular weight of 393.80 g/mol, XLogP of 1.55, 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;hydrochloride is sourced from PubChem (CID 137251734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).