ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate

C19H18N4O3 — CID 137049850

IUPACethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1-c1ccccc1
InChIInChI=1S/C19H18N4O3/c1-2-26-18(25)14-11-20-23(16(14)12-7-4-3-5-8-12)19-21-15-10-6-9-13(15)17(24)22-19/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,21,22,24)
InChIKeyZTDDSNSWIPCFAL-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.29
Rot. Bonds4

About ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate

ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate (PubChem CID 137049850) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate
PubChem CID137049850
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Nameethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1-c1ccccc1
InChIInChI=1S/C19H18N4O3/c1-2-26-18(25)14-11-20-23(16(14)12-7-4-3-5-8-12)19-21-15-10-6-9-13(15)17(24)22-19/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,21,22,24)
InChIKeyZTDDSNSWIPCFAL-UHFFFAOYSA-N
XLogP2.29
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-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 1-benzyl-3-phenyl-1H-pyrazole-4-carboxylate
CID 827523
Ethyl 1-methyl-5-phenyl-1h-pyrazole-4-carboxylate
CID 11831241
2-[5-Methyl-4-[2-methyl-2-(4-methylphenyl)morpholine-4-carbonyl]pyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049141
Benzyl 2-methyl-4-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]piperazine-1-carboxylate
CID 137049144
2-[4-(4-Methoxy-4-phenylpiperidine-1-carbonyl)-5-methylpyrazol-1-yl]-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 137049214
Benzyl 1-[5-methyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carbonyl]pyrrolidine-2-carboxylate
CID 137049279
Ethyl 1-tert-butyl-5-phenyl-1H-pyrazole-4-carboxylate
CID 76329694
ethyl 5-benzamido-1-phenyl-1H-pyrazole-4-carboxylate
CID 692663
ethyl 1-methyl-3-phenyl-1H-pyrazole-4-carboxylate
CID 14003898
Ethyl 1-cyclohexyl-5-phenylpyrazole-4-carboxylate
CID 76333361
methyl 2-[(7-methyl-5-methylidene-4H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]benzoate
CID 136153049
Ethyl 1-tert-butyl-3-(4-methylphenyl)pyrazole-4-carboxylate
CID 14175132

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate (CID 137049850) is ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2nc3c(c(=O)[nH]2)CCC3)c1-c1ccccc1.
What is the InChIKey of ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate?
The InChIKey is ZTDDSNSWIPCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-2-26-18(25)14-11-20-23(16(14)12-7-4-3-5-8-12)19-21-15-10-6-9-13(15)17(24)22-19/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,21,22,24).
What are the key properties of ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate?
ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate has a molecular weight of 350.38 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)-5-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 137049850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).