ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate

C17H17N3O3S — CID 58127628

IUPACethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2nc(-c3ccccc3OC)cs2)c1
InChIInChI=1S/C17H17N3O3S/c1-3-23-17(21)12-8-18-20(9-12)10-16-19-14(11-24-16)13-6-4-5-7-15(13)22-2/h4-9,11H,3,10H2,1-2H3
InChIKeyNKNZARXIXKYNGA-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.24
Rot. Bonds6

About ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate

ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate (PubChem CID 58127628) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
PubChem CID58127628
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Nameethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(Cc2nc(-c3ccccc3OC)cs2)c1
InChIInChI=1S/C17H17N3O3S/c1-3-23-17(21)12-8-18-20(9-12)10-16-19-14(11-24-16)13-6-4-5-7-15(13)22-2/h4-9,11H,3,10H2,1-2H3
InChIKeyNKNZARXIXKYNGA-UHFFFAOYSA-N
XLogP3.24
TPSA66.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate (CID 58127628) is ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(Cc2nc(-c3ccccc3OC)cs2)c1.
What is the InChIKey of ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
The InChIKey is NKNZARXIXKYNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c1-3-23-17(21)12-8-18-20(9-12)10-16-19-14(11-24-16)13-6-4-5-7-15(13)22-2/h4-9,11H,3,10H2,1-2H3.
What are the key properties of ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate?
ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate has a molecular weight of 343.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(2-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 58127628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).