N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

C22H17FN4O2S — CID 55732927

IUPACN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H17FN4O2S/c1-13-17(23)10-14(21(24)28)11-18(13)25-22(29)16-12-27(15-6-3-2-4-7-15)26-20(16)19-8-5-9-30-19/h2-12H,1H3,(H2,24,28)(H,25,29)
InChIKeyGHPQMSSGXPUJKF-UHFFFAOYSA-N
MW420.47 g/mol
LogP4.40
Rot. Bonds5

About N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide

N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (PubChem CID 55732927) has the molecular formula C22H17FN4O2S and a molecular weight of 420.47 g/mol. Its IUPAC name is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
PubChem CID55732927
Molecular FormulaC22H17FN4O2S
Molecular Weight420.47 g/mol
Exact Mass420.11
IUPAC NameN-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
SMILESCc1c(F)cc(C(N)=O)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1
InChIInChI=1S/C22H17FN4O2S/c1-13-17(23)10-14(21(24)28)11-18(13)25-22(29)16-12-27(15-6-3-2-4-7-15)26-20(16)19-8-5-9-30-19/h2-12H,1H3,(H2,24,28)(H,25,29)
InChIKeyGHPQMSSGXPUJKF-UHFFFAOYSA-N
XLogP4.40
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4812792
N-(4-carbamoyl-3-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 56518325
N-(3,4-difluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2336041
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
N-(4-fluorophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 8745127
N-(2-methoxy-5-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 7778291
N-(4,5-dimethyl-1,2-oxazol-3-yl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10021679
N-(2-phenoxyphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2407481
1-phenyl-N-pyridin-3-yl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2999058
1-methyl-3-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]urea
CID 86835748
1-phenyl-N-(2H-tetrazol-5-yl)-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4963779
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide (CID 55732927) is N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is Cc1c(F)cc(C(N)=O)cc1NC(=O)c1cn(-c2ccccc2)nc1-c1cccs1.
What is the InChIKey of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
The InChIKey is GHPQMSSGXPUJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O2S/c1-13-17(23)10-14(21(24)28)11-18(13)25-22(29)16-12-27(15-6-3-2-4-7-15)26-20(16)19-8-5-9-30-19/h2-12H,1H3,(H2,24,28)(H,25,29).
What are the key properties of N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide?
N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-3-fluoro-2-methylphenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55732927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).