N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C17H14FN3O — CID 850330

IUPACN-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C17H14FN3O/c1-12-16(11-19-21(12)15-8-3-2-4-9-15)17(22)20-14-7-5-6-13(18)10-14/h2-11H,1H3,(H,20,22)
InChIKeyISKJTOOAQYLOCI-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.57
Rot. Bonds3

About N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850330) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850330
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccc1
InChIInChI=1S/C17H14FN3O/c1-12-16(11-19-21(12)15-8-3-2-4-9-15)17(22)20-14-7-5-6-13(18)10-14/h2-11H,1H3,(H,20,22)
InChIKeyISKJTOOAQYLOCI-UHFFFAOYSA-N
XLogP3.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850330) is N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccc1.
What is the InChIKey of N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ISKJTOOAQYLOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-16(11-19-21(12)15-8-3-2-4-9-15)17(22)20-14-7-5-6-13(18)10-14/h2-11H,1H3,(H,20,22).
What are the key properties of N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).