propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C16H19F3N4O3 — CID 137018703

IUPACpropyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCCOC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H19F3N4O3/c1-2-7-26-15(25)12-13(16(17,18)19)22-23-10(8-11(24)21-14(12)23)9-3-5-20-6-4-9/h8-9,20H,2-7H2,1H3,(H,21,24)
InChIKeyKXSVKSAPBNJIQR-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.08
Rot. Bonds4

About propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018703) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namepropyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018703
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC Namepropyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCCOC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H19F3N4O3/c1-2-7-26-15(25)12-13(16(17,18)19)22-23-10(8-11(24)21-14(12)23)9-3-5-20-6-4-9/h8-9,20H,2-7H2,1H3,(H,21,24)
InChIKeyKXSVKSAPBNJIQR-UHFFFAOYSA-N
XLogP2.08
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 458
CID 137018404
US10118930, Example 367
CID 137018439
US10118930, Example 457
CID 137018477
US10118930, Example 461
CID 137018487
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 429
CID 137018588
US10118930, Example 463
CID 137018607
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636

Frequently Asked Questions

What is the IUPAC name of propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018703) is propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCCOC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is KXSVKSAPBNJIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-2-7-26-15(25)12-13(16(17,18)19)22-23-10(8-11(24)21-14(12)23)9-3-5-20-6-4-9/h8-9,20H,2-7H2,1H3,(H,21,24).
What are the key properties of propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 372.35 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).