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Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C23H28N4O5 — CID 155255343

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)c1ccc(C2(NC(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1
InChIInChI=1S/C23H28N4O5/c1-22(2,3)32-21(30)26-11-12-27-18(14-26)17(13-24-27)19(28)25-23(9-10-23)16-7-5-15(6-8-16)20(29)31-4/h5-8,13H,9-12,14H2,1-4H3,(H,25,28)
InChIKeyKTOSQHAPBFKZIZ-UHFFFAOYSA-N
MW440.50 g/mol
LogP2.84
Rot. Bonds4

About Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 155255343) has the molecular formula C23H28N4O5 and a molecular weight of 440.50 g/mol. Its IUPAC name is tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound NameTert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID155255343
Molecular FormulaC23H28N4O5
Molecular Weight440.50 g/mol
Exact Mass440.21
IUPAC Nametert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)c1ccc(C2(NC(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1
InChIInChI=1S/C23H28N4O5/c1-22(2,3)32-21(30)26-11-12-27-18(14-26)17(13-24-27)19(28)25-23(9-10-23)16-7-5-15(6-8-16)20(29)31-4/h5-8,13H,9-12,14H2,1-4H3,(H,25,28)
InChIKeyKTOSQHAPBFKZIZ-UHFFFAOYSA-N
XLogP2.84
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 155255343) is tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is COC(=O)c1ccc(C2(NC(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)cc1.
What is the InChIKey of Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is KTOSQHAPBFKZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O5/c1-22(2,3)32-21(30)26-11-12-27-18(14-26)17(13-24-27)19(28)25-23(9-10-23)16-7-5-15(6-8-16)20(29)31-4/h5-8,13H,9-12,14H2,1-4H3,(H,25,28).
What are the key properties of Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 440.50 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl 3-[[1-(4-methoxycarbonylphenyl)cyclopropyl]carbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 155255343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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