N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

C17H13F2N3O — CID 2813248

IUPACN,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O/c1-11-16(17(23)21-14-6-2-12(18)3-7-14)10-20-22(11)15-8-4-13(19)5-9-15/h2-10H,1H3,(H,21,23)
InChIKeyXAYLHTUBVXACRM-UHFFFAOYSA-N
MW313.31 g/mol
LogP3.71
Rot. Bonds3

About N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide

N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 2813248) has the molecular formula C17H13F2N3O and a molecular weight of 313.31 g/mol. Its IUPAC name is N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID2813248
Molecular FormulaC17H13F2N3O
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC NameN,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C17H13F2N3O/c1-11-16(17(23)21-14-6-2-12(18)3-7-14)10-20-22(11)15-8-4-13(19)5-9-15/h2-10H,1H3,(H,21,23)
InChIKeyXAYLHTUBVXACRM-UHFFFAOYSA-N
XLogP3.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 2813248) is N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is XAYLHTUBVXACRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3O/c1-11-16(17(23)21-14-6-2-12(18)3-7-14)10-20-22(11)15-8-4-13(19)5-9-15/h2-10H,1H3,(H,21,23).
What are the key properties of N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 313.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(4-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2813248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).