1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

C20H15FN4O2S — CID 4824032

IUPAC1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H15FN4O2S/c1-27-16-4-2-3-13(11-16)18-17(19(26)23-20-22-9-10-28-20)12-25(24-18)15-7-5-14(21)6-8-15/h2-12H,1H3,(H,22,23,26)
InChIKeySSMUDRJXFNYJHX-UHFFFAOYSA-N
MW394.43 g/mol
LogP4.40
Rot. Bonds5

About 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 4824032) has the molecular formula C20H15FN4O2S and a molecular weight of 394.43 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID4824032
Molecular FormulaC20H15FN4O2S
Molecular Weight394.43 g/mol
Exact Mass394.09
IUPAC Name1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCOc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2nccs2)c1
InChIInChI=1S/C20H15FN4O2S/c1-27-16-4-2-3-13(11-16)18-17(19(26)23-20-22-9-10-28-20)12-25(24-18)15-7-5-14(21)6-8-15/h2-12H,1H3,(H,22,23,26)
InChIKeySSMUDRJXFNYJHX-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methoxyphenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1068314
3-(4-isobutoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 1287415
3-(3-methoxyphenyl)-1-phenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 2201062
3-(4-methoxyphenyl)-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-phenylpyrazole-4-carboxamide
CID 2345621
N-(6-fluoro-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155558974
N-(4-(2-fluoro-3-methoxyphenyl)thiazol-2-yl)-4-(pyrimidin-4-ylamino)benzamide
CID 11604181
US11306081, Example 086
CID 156361580
3-(3,4-Dimethoxy-phenyl)-1-phenyl-1H-pyrazole-4-carboxylic acid thiazol-2-ylamide
CID 1068317
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155522950
N-(1,3-benzothiazol-2-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 155560353
3-methoxy-N-[5-(pyridin-2-yl)-4-(trifluoromethyl)-1,3-thiazol-2-yl]benzamide
CID 1238099
1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1488491

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 4824032) is 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)Nc2nccs2)c1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is SSMUDRJXFNYJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2S/c1-27-16-4-2-3-13(11-16)18-17(19(26)23-20-22-9-10-28-20)12-25(24-18)15-7-5-14(21)6-8-15/h2-12H,1H3,(H,22,23,26).
What are the key properties of 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 4824032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).