N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide

C17H15F2N3O — CID 134133106

IUPACN,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H15F2N3O/c1-11-10-16(12-2-4-13(18)5-3-12)22(21-11)17(23)20-15-8-6-14(19)7-9-15/h2-9,16H,10H2,1H3,(H,20,23)
InChIKeySTMDEYYXKAEPPR-UHFFFAOYSA-N
MW315.32 g/mol
LogP4.32
Rot. Bonds2

About N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide

N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 134133106) has the molecular formula C17H15F2N3O and a molecular weight of 315.32 g/mol. Its IUPAC name is N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
PubChem CID134133106
Molecular FormulaC17H15F2N3O
Molecular Weight315.32 g/mol
Exact Mass315.12
IUPAC NameN,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide
SMILESCC1=NN(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)C1
InChIInChI=1S/C17H15F2N3O/c1-11-10-16(12-2-4-13(18)5-3-12)22(21-11)17(23)20-15-8-6-14(19)7-9-15/h2-9,16H,10H2,1H3,(H,20,23)
InChIKeySTMDEYYXKAEPPR-UHFFFAOYSA-N
XLogP4.32
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.32
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The IUPAC name of N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide (CID 134133106) is N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide.
What is the SMILES notation for N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The canonical SMILES for N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide is CC1=NN(C(=O)Nc2ccc(F)cc2)C(c2ccc(F)cc2)C1.
What is the InChIKey of N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
The InChIKey is STMDEYYXKAEPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O/c1-11-10-16(12-2-4-13(18)5-3-12)22(21-11)17(23)20-15-8-6-14(19)7-9-15/h2-9,16H,10H2,1H3,(H,20,23).
What are the key properties of N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide?
N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 315.32 g/mol, XLogP of 4.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-bis(4-fluorophenyl)-5-methyl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 134133106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).