N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide

C18H17F2N3O — CID 134124961

IUPACN,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC(c2ccc(F)cc2)=NN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H17F2N3O/c1-18(2)11-16(12-3-5-13(19)6-4-12)22-23(18)17(24)21-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyFSQRXEFCSCTUMV-UHFFFAOYSA-N
MW329.35 g/mol
LogP4.39
Rot. Bonds2

About N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide

N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide (PubChem CID 134124961) has the molecular formula C18H17F2N3O and a molecular weight of 329.35 g/mol. Its IUPAC name is N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
PubChem CID134124961
Molecular FormulaC18H17F2N3O
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC NameN,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC(c2ccc(F)cc2)=NN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C18H17F2N3O/c1-18(2)11-16(12-3-5-13(19)6-4-12)22-23(18)17(24)21-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3,(H,21,24)
InChIKeyFSQRXEFCSCTUMV-UHFFFAOYSA-N
XLogP4.39
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 54.39
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)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide (CID 134124961) is N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide is CC1(C)CC(c2ccc(F)cc2)=NN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is FSQRXEFCSCTUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O/c1-18(2)11-16(12-3-5-13(19)6-4-12)22-23(18)17(24)21-15-9-7-14(20)8-10-15/h3-10H,11H2,1-2H3,(H,21,24).
What are the key properties of N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
N,3-bis(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 329.35 g/mol, XLogP of 4.39, 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)-5,5-dimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 134124961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).