tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C24H33ClN4O3 — CID 118085466

IUPACtert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)Cc2c(C(N)=O)c(-c3ccc(CC)c(Cl)c3)nn21
InChIInChI=1S/C24H33ClN4O3/c1-6-8-9-17-13-28(23(31)32-24(3,4)5)14-19-20(22(26)30)21(27-29(17)19)16-11-10-15(7-2)18(25)12-16/h10-12,17H,6-9,13-14H2,1-5H3,(H2,26,30)
InChIKeyWEBJGHVTPLMDOL-UHFFFAOYSA-N
MW461.01 g/mol
LogP5.35
Rot. Bonds6

About tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 118085466) has the molecular formula C24H33ClN4O3 and a molecular weight of 461.01 g/mol. Its IUPAC name is tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID118085466
Molecular FormulaC24H33ClN4O3
Molecular Weight461.01 g/mol
Exact Mass460.22
IUPAC Nametert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCCCCC1CN(C(=O)OC(C)(C)C)Cc2c(C(N)=O)c(-c3ccc(CC)c(Cl)c3)nn21
InChIInChI=1S/C24H33ClN4O3/c1-6-8-9-17-13-28(23(31)32-24(3,4)5)14-19-20(22(26)30)21(27-29(17)19)16-11-10-15(7-2)18(25)12-16/h10-12,17H,6-9,13-14H2,1-5H3,(H2,26,30)
InChIKeyWEBJGHVTPLMDOL-UHFFFAOYSA-N
XLogP5.35
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.01
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-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

tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-(2-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118069376
tert-butyl 3-carbamoyl-2-(4-fluoro-3-methylphenyl)-7-(hydroxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 123657294
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-7-[(cyclopropylamino)-hydroxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 138749188
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-1',1'-difluorospiro[4,6-dihydropyrazolo[1,5-a]pyrazine-7,3'-cyclobutane]-5-carboxylate
CID 118069373
(7R)-2-(3-chloro-4-fluorophenyl)-5-[2-(3,3-difluorocyclobutyl)acetyl]-7-(fluoromethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 147242091
tert-butyl 3-carbamoyl-2-(3-chloro-4-fluorophenyl)-9,9-difluoro-4,6,7,8,10,11-hexahydropyrazolo[1,5-a][1,4]diazecine-5-carboxylate
CID 123441722
2-(3-chloro-4-fluorophenyl)-7-(2-cyclopropylacetyl)-5-(3,3-dimethylbutanoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 153250527
5-N-tert-butyl-2-(3-chloro-4-ethylphenyl)spiro[4,7-dihydropyrazolo[1,5-a]pyrazine-6,1'-cyclopropane]-3,5-dicarboxamide
CID 118087438
tert-butyl 3-carbamoyl-2-(4-fluoro-3-methylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085424
tert-butyl 3-carbamoyl-2-(8-chloro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 118085438
5-N-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-N-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5,7-tricarboxamide
CID 118071147
4-tert-butyl-2-(3-chloro-4-fluorophenyl)-7-(2-fluoroethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-3,5-dicarboxamide
CID 118061794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 118085466) is tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CCCCC1CN(C(=O)OC(C)(C)C)Cc2c(C(N)=O)c(-c3ccc(CC)c(Cl)c3)nn21.
What is the InChIKey of tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is WEBJGHVTPLMDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33ClN4O3/c1-6-8-9-17-13-28(23(31)32-24(3,4)5)14-19-20(22(26)30)21(27-29(17)19)16-11-10-15(7-2)18(25)12-16/h10-12,17H,6-9,13-14H2,1-5H3,(H2,26,30).
What are the key properties of tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 461.01 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-butyl-3-carbamoyl-2-(3-chloro-4-ethylphenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 118085466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).