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

C24H30N4O5 — CID 155255217

IUPACtert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)c1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1
InChIInChI=1S/C24H30N4O5/c1-23(2,3)33-22(31)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)24(9-10-24)17-8-6-7-16(13-17)21(30)32-5/h6-8,13-14H,9-12,15H2,1-5H3
InChIKeyGAUKOHXNYZAAML-UHFFFAOYSA-N
MW454.53 g/mol
LogP3.18
Rot. Bonds4

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

tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 155255217) has the molecular formula C24H30N4O5 and a molecular weight of 454.53 g/mol. Its IUPAC name is tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID155255217
Molecular FormulaC24H30N4O5
Molecular Weight454.53 g/mol
Exact Mass454.22
IUPAC Nametert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCOC(=O)c1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1
InChIInChI=1S/C24H30N4O5/c1-23(2,3)33-22(31)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)24(9-10-24)17-8-6-7-16(13-17)21(30)32-5/h6-8,13-14H,9-12,15H2,1-5H3
InChIKeyGAUKOHXNYZAAML-UHFFFAOYSA-N
XLogP3.18
TPSA93.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 155255217) is tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is COC(=O)c1cccc(C2(N(C)C(=O)c3cnn4c3CN(C(=O)OC(C)(C)C)CC4)CC2)c1.
What is the InChIKey of tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is GAUKOHXNYZAAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O5/c1-23(2,3)33-22(31)27-11-12-28-19(15-27)18(14-25-28)20(29)26(4)24(9-10-24)17-8-6-7-16(13-17)21(30)32-5/h6-8,13-14H,9-12,15H2,1-5H3.
What are the key properties of tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 454.53 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[1-(3-methoxycarbonylphenyl)cyclopropyl]-methylcarbamoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 155255217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).