3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide

C19H15FN4OS — CID 121083931

IUPAC3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)ccc2s1
InChIInChI=1S/C19H15FN4OS/c1-11-21-16-9-14(7-8-18(16)26-11)22-19(25)17-10-15(23-24(17)2)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,25)
InChIKeyIYUSXQPPCPBJJS-UHFFFAOYSA-N
MW366.42 g/mol
LogP4.40
Rot. Bonds3

About 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide

3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide (PubChem CID 121083931) has the molecular formula C19H15FN4OS and a molecular weight of 366.42 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
PubChem CID121083931
Molecular FormulaC19H15FN4OS
Molecular Weight366.42 g/mol
Exact Mass366.10
IUPAC Name3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide
SMILESCc1nc2cc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)ccc2s1
InChIInChI=1S/C19H15FN4OS/c1-11-21-16-9-14(7-8-18(16)26-11)22-19(25)17-10-15(23-24(17)2)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,25)
InChIKeyIYUSXQPPCPBJJS-UHFFFAOYSA-N
XLogP4.40
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpyrazole-5-carboxamide
CID 174832317
N-(4-cyanophenyl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832757
N-(4-fluorophenyl)-1-methyl-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 771732
3-(4-fluorophenyl)-1-methyl-N-[4-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]phenyl]pyrazole-5-carboxamide
CID 122316797
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 174832381
1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-3-carboxamide
CID 42110934
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 16809683
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
3-fluoro-4-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)benzamide
CID 11301035
N-(2-ethoxypyrimidin-5-yl)-3-(4-fluorophenyl)-1-methylpyrazole-5-carboxamide
CID 122301993
3-(4-fluorophenyl)-N-(2-imidazol-1-ylpyrimidin-5-yl)-1-methylpyrazole-5-carboxamide
CID 122300852
3-(4-fluorophenyl)-1-methyl-N-(1,3-thiazol-2-yl)pyrazole-5-carboxamide
CID 121083918

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide (CID 121083931) is 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide is Cc1nc2cc(NC(=O)c3cc(-c4ccc(F)cc4)nn3C)ccc2s1.
What is the InChIKey of 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide?
The InChIKey is IYUSXQPPCPBJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4OS/c1-11-21-16-9-14(7-8-18(16)26-11)22-19(25)17-10-15(23-24(17)2)12-3-5-13(20)6-4-12/h3-10H,1-2H3,(H,22,25).
What are the key properties of 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide?
3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-methyl-N-(2-methyl-1,3-benzothiazol-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 121083931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).