5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

C21H21ClN6O2S — CID 169208886

IUPAC5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nn3c(c2C2CC2)C(=O)N(Cc2ccccc2Cl)CC3)s1
InChIInChI=1S/C21H21ClN6O2S/c1-2-15-24-25-21(31-15)23-19(29)17-16(12-7-8-12)18-20(30)27(9-10-28(18)26-17)11-13-5-3-4-6-14(13)22/h3-6,12H,2,7-11H2,1H3,(H,23,25,29)
InChIKeyXXKQDZPHFLTJFS-UHFFFAOYSA-N
MW456.96 g/mol
LogP3.74
Rot. Bonds6

About 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide

5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 169208886) has the molecular formula C21H21ClN6O2S and a molecular weight of 456.96 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID169208886
Molecular FormulaC21H21ClN6O2S
Molecular Weight456.96 g/mol
Exact Mass456.11
IUPAC Name5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESCCc1nnc(NC(=O)c2nn3c(c2C2CC2)C(=O)N(Cc2ccccc2Cl)CC3)s1
InChIInChI=1S/C21H21ClN6O2S/c1-2-15-24-25-21(31-15)23-19(29)17-16(12-7-8-12)18-20(30)27(9-10-28(18)26-17)11-13-5-3-4-6-14(13)22/h3-6,12H,2,7-11H2,1H3,(H,23,25,29)
InChIKeyXXKQDZPHFLTJFS-UHFFFAOYSA-N
XLogP3.74
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.96
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(2-chlorophenyl)methyl]-3-cyclopropyl-4-oxo-N-[5-(2,2,2-trifluoroethyl)-1,3,4-thiadiazol-2-yl]-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 169208892
3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-[(3-methyl-2-pyridinyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 169208857
5-[(6-bromo-2-methyl-3-pyridinyl)methyl]-3-cyclopropyl-N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 175931950
N-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-5-[(2-fluorophenyl)methyl]-3-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 169208870
1-[(2-chlorophenyl)methyl]-5-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)triazole-4-carboxamide
CID 91938631
1-(2-chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
1-benzyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 4883514
2-(2-chlorophenyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 34107644
4-[(2-chlorophenyl)methylamino]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzamide
CID 26881272
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-5-methyl-2-phenyltriazole-4-carboxamide
CID 2799314
2-amino-3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82546737
2-(cyanomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 82179672

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide (CID 169208886) is 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is CCc1nnc(NC(=O)c2nn3c(c2C2CC2)C(=O)N(Cc2ccccc2Cl)CC3)s1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is XXKQDZPHFLTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O2S/c1-2-15-24-25-21(31-15)23-19(29)17-16(12-7-8-12)18-20(30)27(9-10-28(18)26-17)11-13-5-3-4-6-14(13)22/h3-6,12H,2,7-11H2,1H3,(H,23,25,29).
What are the key properties of 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide?
5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 456.96 g/mol, XLogP of 3.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-3-cyclopropyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 169208886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).