(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate

C19H16FN3O3S — CID 2102550

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H16FN3O3S/c1-10-15-8-17(19(24)25-9-16-11(2)22-26-12(16)3)27-18(15)23(21-10)14-6-4-13(20)5-7-14/h4-8H,9H2,1-3H3
InChIKeyWZCNDURAGXWIKI-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.50
Rot. Bonds4

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate (PubChem CID 2102550) has the molecular formula C19H16FN3O3S and a molecular weight of 385.42 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
PubChem CID2102550
Molecular FormulaC19H16FN3O3S
Molecular Weight385.42 g/mol
Exact Mass385.09
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
SMILESCc1noc(C)c1COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1
InChIInChI=1S/C19H16FN3O3S/c1-10-15-8-17(19(24)25-9-16-11(2)22-26-12(16)3)27-18(15)23(21-10)14-6-4-13(20)5-7-14/h4-8H,9H2,1-3H3
InChIKeyWZCNDURAGXWIKI-UHFFFAOYSA-N
XLogP4.50
TPSA70.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate with MolForge

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Related Compounds

ethyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 678008
1-(4-Fluorophenyl)-3-methyl-5-thieno[2,3-c]pyrazolecarboxylic acid (2-oxo-3-oxolanyl) ester
CID 2999178
(3,3-Dimethyl-2-oxobutyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 2431080
(2-Oxocyclopentyl) 3-methyl-1-phenylthieno[3,2-d]pyrazole-5-carboxylate
CID 4826119
2-phenoxyethyl 1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 4267329
2-ethoxyethyl 1-(4-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 24518104
2-phenoxyethyl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 46358473
2-methoxyethyl 1-(3-fluorophenyl)-3-methyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 53008850
isopropyl 3-methyl-1-phenyl-1H-thieno[2,3-c]pyrazole-5-carboxylate
CID 765478
[2-(2,5-Dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2080063
[(3S)-2-oxooxolan-3-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2080190
[(3R)-2-oxooxolan-3-yl] 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 2080191

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate (CID 2102550) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate is Cc1noc(C)c1COC(=O)c1cc2c(C)nn(-c3ccc(F)cc3)c2s1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
The InChIKey is WZCNDURAGXWIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O3S/c1-10-15-8-17(19(24)25-9-16-11(2)22-26-12(16)3)27-18(15)23(21-10)14-6-4-13(20)5-7-14/h4-8H,9H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate has a molecular weight of 385.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazole-5-carboxylate is sourced from PubChem (CID 2102550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).