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

C22H19FN4O2S — CID 45498892

IUPAC5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2sc(-c3ccc(F)cc3)nc2C)[nH]n1
InChIInChI=1S/C22H19FN4O2S/c1-13-20(30-22(25-13)14-7-9-16(23)10-8-14)17-11-18(27-26-17)21(28)24-12-15-5-3-4-6-19(15)29-2/h3-11H,12H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyODVJVAUWRWHZPU-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.59
Rot. Bonds6

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

5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (PubChem CID 45498892) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
PubChem CID45498892
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC Name5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2sc(-c3ccc(F)cc3)nc2C)[nH]n1
InChIInChI=1S/C22H19FN4O2S/c1-13-20(30-22(25-13)14-7-9-16(23)10-8-14)17-11-18(27-26-17)21(28)24-12-15-5-3-4-6-19(15)29-2/h3-11H,12H2,1-2H3,(H,24,28)(H,26,27)
InChIKeyODVJVAUWRWHZPU-UHFFFAOYSA-N
XLogP4.59
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(S)-1-(5-((2-aminopropanamido)methyl)thiophen-3-yl)-N-(2-methoxybenzyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218467
Pyrazole scaffold, 10a
CID 25218468
Pyrazole scaffold, 13
CID 25218469
Pyrazole scaffold, 10e
CID 25218481
3-Tert-butyl-4-(2-methoxyphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]-2,4-dihydropyrrolo[3,4-c]pyrazol-6-one
CID 58045072
3-(5-fluoro-2-propoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 46942696
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[4-[4-(2-methoxyphenyl)thiazol-2-yl]tetrahydropyran-4-yl]methyl]benzamide
CID 127033830
3-(5-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49795782
3-(4-fluoro-2-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49790078
3-(4-fluoro-2-propan-2-yloxyphenyl)-N-(thiophen-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 49791400
5-[2-[4-(1,3-benzodioxol-4-yl)phenyl]-4-methyl-1,3-thiazol-5-yl]-N-cyclohexyl-1H-pyrazole-3-carboxamide
CID 162668430
N-[4-(difluoromethoxy)phenyl]-5-[4-methyl-2-(4-phenylphenyl)-1,3-thiazol-5-yl]-1H-pyrazole-3-carboxamide
CID 162676846

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide (CID 45498892) is 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is COc1ccccc1CNC(=O)c1cc(-c2sc(-c3ccc(F)cc3)nc2C)[nH]n1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ODVJVAUWRWHZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-13-20(30-22(25-13)14-7-9-16(23)10-8-14)17-11-18(27-26-17)21(28)24-12-15-5-3-4-6-19(15)29-2/h3-11H,12H2,1-2H3,(H,24,28)(H,26,27).
What are the key properties of 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide?
5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 4.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 45498892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).