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

C16H19F3N4O3 — CID 137025689

IUPACpropan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)OC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H19F3N4O3/c1-8(2)26-15(25)12-13(16(17,18)19)22-23-10(7-11(24)21-14(12)23)9-3-5-20-6-4-9/h7-9,20H,3-6H2,1-2H3,(H,21,24)
InChIKeyRSFSCEQPTAODIB-UHFFFAOYSA-N
MW372.35 g/mol
LogP2.07
Rot. Bonds3

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

propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137025689) has the molecular formula C16H19F3N4O3 and a molecular weight of 372.35 g/mol. Its IUPAC name is propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137025689
Molecular FormulaC16H19F3N4O3
Molecular Weight372.35 g/mol
Exact Mass372.14
IUPAC Namepropan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)OC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C16H19F3N4O3/c1-8(2)26-15(25)12-13(16(17,18)19)22-23-10(7-11(24)21-14(12)23)9-3-5-20-6-4-9/h7-9,20H,3-6H2,1-2H3,(H,21,24)
InChIKeyRSFSCEQPTAODIB-UHFFFAOYSA-N
XLogP2.07
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze propan-2-yl 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 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 463
CID 137018607
US10118930, Example 465
CID 137018619
US10118930, Example 466
CID 137018636
US10118930, Example 454
CID 137018702
US10118930, Example 459
CID 137018703
US10118930, Example 464
CID 137018756

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137025689) is propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(C)OC(=O)c1c(C(F)(F)F)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is RSFSCEQPTAODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O3/c1-8(2)26-15(25)12-13(16(17,18)19)22-23-10(7-11(24)21-14(12)23)9-3-5-20-6-4-9/h7-9,20H,3-6H2,1-2H3,(H,21,24).
What are the key properties of propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
propan-2-yl 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 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137025689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).