5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide

C17H18N4O2S — CID 154839779

IUPAC5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C)ns2)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H18N4O2S/c1-4-15-14(17(22)19-16-9-11(2)20-24-16)10-18-21(15)12-5-7-13(23-3)8-6-12/h5-10H,4H2,1-3H3,(H,19,22)
InChIKeyCQZCASVGGDVBHB-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.46
Rot. Bonds5

About 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide

5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide (PubChem CID 154839779) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide
PubChem CID154839779
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide
SMILESCCc1c(C(=O)Nc2cc(C)ns2)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H18N4O2S/c1-4-15-14(17(22)19-16-9-11(2)20-24-16)10-18-21(15)12-5-7-13(23-3)8-6-12/h5-10H,4H2,1-3H3,(H,19,22)
InChIKeyCQZCASVGGDVBHB-UHFFFAOYSA-N
XLogP3.46
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide (CID 154839779) is 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide is CCc1c(C(=O)Nc2cc(C)ns2)cnn1-c1ccc(OC)cc1.
What is the InChIKey of 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide?
The InChIKey is CQZCASVGGDVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-4-15-14(17(22)19-16-9-11(2)20-24-16)10-18-21(15)12-5-7-13(23-3)8-6-12/h5-10H,4H2,1-3H3,(H,19,22).
What are the key properties of 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide?
5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-methoxyphenyl)-N-(3-methyl-1,2-thiazol-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 154839779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).