3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid

C17H15FN4O3S — CID 166377689

IUPAC3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NC(CC(=O)O)c1nccs1
InChIInChI=1S/C17H15FN4O3S/c1-22-14(8-12(21-22)10-2-4-11(18)5-3-10)16(25)20-13(9-15(23)24)17-19-6-7-26-17/h2-8,13H,9H2,1H3,(H,20,25)(H,23,24)
InChIKeyDMOWENARBIPRJR-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.63
Rot. Bonds6

About 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid

3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 166377689) has the molecular formula C17H15FN4O3S and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID166377689
Molecular FormulaC17H15FN4O3S
Molecular Weight374.40 g/mol
Exact Mass374.08
IUPAC Name3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESCn1nc(-c2ccc(F)cc2)cc1C(=O)NC(CC(=O)O)c1nccs1
InChIInChI=1S/C17H15FN4O3S/c1-22-14(8-12(21-22)10-2-4-11(18)5-3-10)16(25)20-13(9-15(23)24)17-19-6-7-26-17/h2-8,13H,9H2,1H3,(H,20,25)(H,23,24)
InChIKeyDMOWENARBIPRJR-UHFFFAOYSA-N
XLogP2.63
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918
N-butan-2-yl-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 42758555
3-(4-fluorophenyl)-1-methyl-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 121083917
3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl chloride
CID 83381357
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
2-chloro-1-[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]ethanone
CID 134085993
3-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-thiophen-2-ylethyl]-1-methylpyrazole-5-carboxamide
CID 126854749
3-(4-fluorophenyl)-1-methyl-N-[2-(2-oxopyrimidin-1-yl)ethyl]pyrazole-5-carboxamide
CID 131703935
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
ethyl 3-(4-fluorophenyl)-1-methylpyrazole-5-carboxylate
CID 26597179
3-(4-fluorophenyl)-1-methyl-N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]pyrazole-5-carboxamide
CID 122274377
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid (CID 166377689) is 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid is Cn1nc(-c2ccc(F)cc2)cc1C(=O)NC(CC(=O)O)c1nccs1.
What is the InChIKey of 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is DMOWENARBIPRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3S/c1-22-14(8-12(21-22)10-2-4-11(18)5-3-10)16(25)20-13(9-15(23)24)17-19-6-7-26-17/h2-8,13H,9H2,1H3,(H,20,25)(H,23,24).
What are the key properties of 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 374.40 g/mol, XLogP of 2.63, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 166377689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).