N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

C19H14FN5OS — CID 86941996

IUPACN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)nn1-c1ccccc1
InChIInChI=1S/C19H14FN5OS/c1-12-11-16(23-25(12)15-5-3-2-4-6-15)18(26)22-19-21-17(24-27-19)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22,24,26)
InChIKeyOHIFALLDNBJGEJ-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.09
Rot. Bonds4

About N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide

N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 86941996) has the molecular formula C19H14FN5OS and a molecular weight of 379.42 g/mol. Its IUPAC name is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID86941996
Molecular FormulaC19H14FN5OS
Molecular Weight379.42 g/mol
Exact Mass379.09
IUPAC NameN-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)nn1-c1ccccc1
InChIInChI=1S/C19H14FN5OS/c1-12-11-16(23-25(12)15-5-3-2-4-6-15)18(26)22-19-21-17(24-27-19)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22,24,26)
InChIKeyOHIFALLDNBJGEJ-UHFFFAOYSA-N
XLogP4.09
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzothiazol-2-yl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55752794
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-2-methyl-6-phenylpyridine-3-carboxamide
CID 86942045
5-methyl-1-phenyl-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 55991299
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
3,5-dichloro-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 146076485
methyl 4-[2-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 55759029
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 86942134
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
1-phenyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)pyrazole-4-carboxamide
CID 87010055
2-[(4-fluorophenyl)sulfonylamino]-N-(3-phenyl-1,2,4-thiadiazol-5-yl)benzamide
CID 56503511
tert-butyl 3-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoyl]-1-phenylpyrazole-5-carboxylate
CID 166216673
4-bromo-2-fluoro-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86941977

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide (CID 86941996) is N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)ns2)nn1-c1ccccc1.
What is the InChIKey of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is OHIFALLDNBJGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5OS/c1-12-11-16(23-25(12)15-5-3-2-4-6-15)18(26)22-19-21-17(24-27-19)13-7-9-14(20)10-8-13/h2-11H,1H3,(H,21,22,24,26).
What are the key properties of N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide?
N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 379.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 86941996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).