(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

C21H17N3O3S — CID 7523414

IUPAC(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H17N3O3S/c1-26-18-12-24(17-10-6-3-7-11-17)23-19(18)21(25)27-13-16-14-28-20(22-16)15-8-4-2-5-9-15/h2-12,14H,13H2,1H3
InChIKeyQTNDYXMNPHJRHC-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.36
Rot. Bonds6

About (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate

(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (PubChem CID 7523414) has the molecular formula C21H17N3O3S and a molecular weight of 391.45 g/mol. Its IUPAC name is (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.

Molecular Properties

Compound Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
PubChem CID7523414
Molecular FormulaC21H17N3O3S
Molecular Weight391.45 g/mol
Exact Mass391.10
IUPAC Name(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
SMILESCOc1cn(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccccc2)n1
InChIInChI=1S/C21H17N3O3S/c1-26-18-12-24(17-10-6-3-7-11-17)23-19(18)21(25)27-13-16-14-28-20(22-16)15-8-4-2-5-9-15/h2-12,14H,13H2,1H3
InChIKeyQTNDYXMNPHJRHC-UHFFFAOYSA-N
XLogP4.36
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(4-methoxy-1-phenylpyrazol-3-yl)-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 30086740
[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644249
(2-phenyl-1,3-thiazol-4-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 4857964
(2-phenyl-1,3-thiazol-4-yl)methyl 2-methoxy-5-sulfamoylbenzoate
CID 7467913
N'-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]-4-hydroxy-1-phenylpyrazole-3-carbohydrazide
CID 46657516
(2-phenyl-1,3-thiazol-4-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7416076
(4-nitrophenyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703381
phenacyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992049
[(1S,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95222959
(2-methylcyclopropyl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 71885554
[(1R,2S)-2-methylcyclopropyl]methyl 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 95040685
[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 32933840

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The IUPAC name of (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate (CID 7523414) is (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate.
What is the SMILES notation for (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The canonical SMILES for (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is COc1cn(-c2ccccc2)nc1C(=O)OCc1csc(-c2ccccc2)n1.
What is the InChIKey of (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
The InChIKey is QTNDYXMNPHJRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3S/c1-26-18-12-24(17-10-6-3-7-11-17)23-19(18)21(25)27-13-16-14-28-20(22-16)15-8-4-2-5-9-15/h2-12,14H,13H2,1H3.
What are the key properties of (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate?
(2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate has a molecular weight of 391.45 g/mol, XLogP of 4.36, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-1,3-thiazol-4-yl)methyl 4-methoxy-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 7523414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).