(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

C19H19N3O2S — CID 56528439

IUPAC(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCc1nc(C)c(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)s1
InChIInChI=1S/C19H19N3O2S/c1-12-17(25-13(2)20-12)11-24-19(23)18-15-9-6-10-16(15)22(21-18)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyXGTJIZDDRJWBQV-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.79
Rot. Bonds4

About (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate

(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (PubChem CID 56528439) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
PubChem CID56528439
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC Name(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
SMILESCc1nc(C)c(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)s1
InChIInChI=1S/C19H19N3O2S/c1-12-17(25-13(2)20-12)11-24-19(23)18-15-9-6-10-16(15)22(21-18)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3
InChIKeyXGTJIZDDRJWBQV-UHFFFAOYSA-N
XLogP3.79
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate with MolForge

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Related Compounds

ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 14576148
1,3-thiazol-2-ylmethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 47588176
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46680843
3-cyanopropyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46680776
ethyl 1-(4-bromophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 9267927
[4-(pyridin-2-ylmethoxy)phenyl]methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 47085041
N-(3-methoxypropyl)-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 30098859
[2-(2-methyl-3-nitroanilino)-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46681202
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46681069
[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl] 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46681221
2-(4-cyanophenoxy)ethyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 46680891
[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate
CID 55485389

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The IUPAC name of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate (CID 56528439) is (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate.
What is the SMILES notation for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The canonical SMILES for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is Cc1nc(C)c(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)s1.
What is the InChIKey of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
The InChIKey is XGTJIZDDRJWBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-12-17(25-13(2)20-12)11-24-19(23)18-15-9-6-10-16(15)22(21-18)14-7-4-3-5-8-14/h3-5,7-8H,6,9-11H2,1-2H3.
What are the key properties of (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate?
(2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate has a molecular weight of 353.45 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-thiazol-5-yl)methyl 1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylate is sourced from PubChem (CID 56528439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).