ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C20H22N4O3 — CID 137018322

IUPACethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C20H22N4O3/c1-2-27-20(26)17-18(14-6-4-3-5-7-14)23-24-15(12-16(25)22-19(17)24)13-8-10-21-11-9-13/h3-7,12-13,21H,2,8-11H2,1H3,(H,22,25)
InChIKeyJKWSDWKIRNPTAQ-UHFFFAOYSA-N
MW366.42 g/mol
LogP2.33
Rot. Bonds4

About ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018322) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018322
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Nameethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)nn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C20H22N4O3/c1-2-27-20(26)17-18(14-6-4-3-5-7-14)23-24-15(12-16(25)22-19(17)24)13-8-10-21-11-9-13/h3-7,12-13,21H,2,8-11H2,1H3,(H,22,25)
InChIKeyJKWSDWKIRNPTAQ-UHFFFAOYSA-N
XLogP2.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-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

ethyl 5-oxo-7-piperidin-4-yl-2-(trifluoromethyl)-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018404
propyl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018414
2,2-difluoroethyl 2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137018619
ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydrochloride
CID 137251710
N-ethyl-2-methyl-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137018316
3-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018459
N,2-dimethyl-N-(2-methylphenyl)-5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 137251745
ethyl 2-phenyl-7-piperidin-4-yl-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 137025929
4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026029
3-acetyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;ethylbenzene
CID 145075530
N-butyl-7-[1-(2-methylpropyl)piperidin-4-yl]-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 174866518
tert-butyl 4-[3-(2-methylpropylcarbamoyl)-5-oxo-2-phenyl-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018222

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018322) is ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)nn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is JKWSDWKIRNPTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-27-20(26)17-18(14-6-4-3-5-7-14)23-24-15(12-16(25)22-19(17)24)13-8-10-21-11-9-13/h3-7,12-13,21H,2,8-11H2,1H3,(H,22,25).
What are the key properties of ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 366.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-2-phenyl-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).