N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C17H14FN3O — CID 850353

IUPACN-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccc1
InChIInChI=1S/C17H14FN3O/c1-12-14(11-19-21(12)13-7-3-2-4-8-13)17(22)20-16-10-6-5-9-15(16)18/h2-11H,1H3,(H,20,22)
InChIKeyZJOHXXAFCSCQRU-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.57
Rot. Bonds3

About N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850353) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID850353
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccc1
InChIInChI=1S/C17H14FN3O/c1-12-14(11-19-21(12)13-7-3-2-4-8-13)17(22)20-16-10-6-5-9-15(16)18/h2-11H,1H3,(H,20,22)
InChIKeyZJOHXXAFCSCQRU-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-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 850353) is N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccc1.
What is the InChIKey of N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ZJOHXXAFCSCQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-12-14(11-19-21(12)13-7-3-2-4-8-13)17(22)20-16-10-6-5-9-15(16)18/h2-11H,1H3,(H,20,22).
What are the key properties of N-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(2-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-(2-fluorophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).