N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide

C22H16ClFN4O — CID 53067744

IUPACN-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H16ClFN4O/c1-14-11-16(23)4-9-19(14)26-22(29)20-12-21(15-3-2-10-25-13-15)28(27-20)18-7-5-17(24)6-8-18/h2-13H,1H3,(H,26,29)
InChIKeyFBQZIOOVTKPSOC-UHFFFAOYSA-N
MW406.85 g/mol
LogP5.29
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide

N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067744) has the molecular formula C22H16ClFN4O and a molecular weight of 406.85 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067744
Molecular FormulaC22H16ClFN4O
Molecular Weight406.85 g/mol
Exact Mass406.10
IUPAC NameN-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H16ClFN4O/c1-14-11-16(23)4-9-19(14)26-22(29)20-12-21(15-3-2-10-25-13-15)28(27-20)18-7-5-17(24)6-8-18/h2-13H,1H3,(H,26,29)
InChIKeyFBQZIOOVTKPSOC-UHFFFAOYSA-N
XLogP5.29
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.85
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067775
1-(4-fluorophenyl)-N-(6-methyl-2-pyridinyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067736
1-(4-fluorophenyl)-N-propan-2-yl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067783
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
N-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674
1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067805
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125173
1-(4-fluorophenyl)-N-(3-phenylpropyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067767
N-ethyl-1-(4-fluorophenyl)-N-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067752
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
[4-(4-chlorophenyl)piperazin-1-yl]-[1-(4-methylphenyl)-5-pyridin-3-ylpyrazol-3-yl]methanone
CID 53006257

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067744) is N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is FBQZIOOVTKPSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN4O/c1-14-11-16(23)4-9-19(14)26-22(29)20-12-21(15-3-2-10-25-13-15)28(27-20)18-7-5-17(24)6-8-18/h2-13H,1H3,(H,26,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 406.85 g/mol, XLogP of 5.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).