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

C22H17FN4O — CID 53067775

IUPAC1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17FN4O/c1-15-5-2-3-7-19(15)25-22(28)20-13-21(16-6-4-12-24-14-16)27(26-20)18-10-8-17(23)9-11-18/h2-14H,1H3,(H,25,28)
InChIKeyMHPKNIFYIZPYLF-UHFFFAOYSA-N
MW372.40 g/mol
LogP4.63
Rot. Bonds4

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

1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 53067775) has the molecular formula C22H17FN4O and a molecular weight of 372.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID53067775
Molecular FormulaC22H17FN4O
Molecular Weight372.40 g/mol
Exact Mass372.14
IUPAC Name1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
SMILESCc1ccccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C22H17FN4O/c1-15-5-2-3-7-19(15)25-22(28)20-13-21(16-6-4-12-24-14-16)27(26-20)18-10-8-17(23)9-11-18/h2-14H,1H3,(H,25,28)
InChIKeyMHPKNIFYIZPYLF-UHFFFAOYSA-N
XLogP4.63
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067744
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
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-(2,6-dimethylphenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067674
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53002239
1-(4-fluorophenyl)-N-(4-methylcyclohexyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067805
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
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125173
N-(2-methylphenyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986112

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide (CID 53067775) is 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide is Cc1ccccc1NC(=O)c1cc(-c2cccnc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is MHPKNIFYIZPYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN4O/c1-15-5-2-3-7-19(15)25-22(28)20-13-21(16-6-4-12-24-14-16)27(26-20)18-10-8-17(23)9-11-18/h2-14H,1H3,(H,25,28).
What are the key properties of 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 53067775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).