1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide

C19H15FN4O2S — CID 35875582

IUPAC1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cnn1-c1ccccc1F
InChIInChI=1S/C19H15FN4O2S/c1-11-13(9-21-24(11)16-5-3-2-4-14(16)20)19(26)22-12-6-7-17-15(8-12)23-18(25)10-27-17/h2-9H,10H2,1H3,(H,22,26)(H,23,25)
InChIKeyRJHYDSGSRVFMMV-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide

1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide (PubChem CID 35875582) has the molecular formula C19H15FN4O2S and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide
PubChem CID35875582
Molecular FormulaC19H15FN4O2S
Molecular Weight382.42 g/mol
Exact Mass382.09
IUPAC Name1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cnn1-c1ccccc1F
InChIInChI=1S/C19H15FN4O2S/c1-11-13(9-21-24(11)16-5-3-2-4-14(16)20)19(26)22-12-6-7-17-15(8-12)23-18(25)10-27-17/h2-9H,10H2,1H3,(H,22,26)(H,23,25)
InChIKeyRJHYDSGSRVFMMV-UHFFFAOYSA-N
XLogP3.62
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide (CID 35875582) is 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)CS3)cnn1-c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
The InChIKey is RJHYDSGSRVFMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2S/c1-11-13(9-21-24(11)16-5-3-2-4-14(16)20)19(26)22-12-6-7-17-15(8-12)23-18(25)10-27-17/h2-9H,10H2,1H3,(H,22,26)(H,23,25).
What are the key properties of 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide?
1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-methyl-N-(3-oxo-4H-1,4-benzothiazin-6-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 35875582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).