1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide

C17H13FN4OS2 — CID 2518728

IUPAC1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nccs3)cc12
InChIInChI=1S/C17H13FN4OS2/c1-10-13-8-14(15(23)20-17-19-6-7-24-17)25-16(13)22(21-10)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyCHDFSLKWBQVEES-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.30
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide

1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 2518728) has the molecular formula C17H13FN4OS2 and a molecular weight of 372.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
PubChem CID2518728
Molecular FormulaC17H13FN4OS2
Molecular Weight372.45 g/mol
Exact Mass372.05
IUPAC Name1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nccs3)cc12
InChIInChI=1S/C17H13FN4OS2/c1-10-13-8-14(15(23)20-17-19-6-7-24-17)25-16(13)22(21-10)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,20,23)
InChIKeyCHDFSLKWBQVEES-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 661004
3-(2-fluorophenyl)-1-methyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]thieno[3,2-d]pyrazole-5-carboxamide
CID 46231793
4-(4-Fluoro-benzyl)-4H-thieno[3,2-b]pyrrole-5-carboxylic acid thiazol-2-ylamide
CID 644553
1,3-diphenyl-N-1,3-thiazol-2-yl-1H-pyrazole-4-carboxamide
CID 882594
3-(5-chlorothiophen-2-yl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1287682
1-[(2-chlorophenyl)methyl]-3-methyl-N-(4-methyl-2-thiazolyl)-5-thieno[2,3-c]pyrazolecarboxamide
CID 2082451
3-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1-phenylthieno[2,3-c]pyrazole-5-carboxamide
CID 2102506
N-(4-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336083
N-(5-methyl-1,3-thiazol-2-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2576311
3-methyl-1-(2-methylpropyl)-N-[4-(pyridin-2-yl)-1,3-thiazol-2-yl]-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 8849767
N-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide;hydrochloride
CID 44522334
5-butyl-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 72163266

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide (CID 2518728) is 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3nccs3)cc12.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is CHDFSLKWBQVEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4OS2/c1-10-13-8-14(15(23)20-17-19-6-7-24-17)25-16(13)22(21-10)9-11-2-4-12(18)5-3-11/h2-8H,9H2,1H3,(H,19,20,23).
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide?
1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 372.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-methyl-N-(1,3-thiazol-2-yl)thieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 2518728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).