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

C19H17FN4O — CID 171984837

IUPACN-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC(c2ccc(F)cc2)=NN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H17FN4O/c1-19(2)11-17(14-5-7-15(20)8-6-14)23-24(19)18(25)22-16-9-3-13(12-21)4-10-16/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyKBOVNNWUXYTQOZ-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.12
Rot. Bonds2

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

N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide (PubChem CID 171984837) has the molecular formula C19H17FN4O and a molecular weight of 336.37 g/mol. Its IUPAC name is N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
PubChem CID171984837
Molecular FormulaC19H17FN4O
Molecular Weight336.37 g/mol
Exact Mass336.14
IUPAC NameN-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide
SMILESCC1(C)CC(c2ccc(F)cc2)=NN1C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C19H17FN4O/c1-19(2)11-17(14-5-7-15(20)8-6-14)23-24(19)18(25)22-16-9-3-13(12-21)4-10-16/h3-10H,11H2,1-2H3,(H,22,25)
InChIKeyKBOVNNWUXYTQOZ-UHFFFAOYSA-N
XLogP4.12
TPSA68.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide (CID 171984837) is N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide is CC1(C)CC(c2ccc(F)cc2)=NN1C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
The InChIKey is KBOVNNWUXYTQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O/c1-19(2)11-17(14-5-7-15(20)8-6-14)23-24(19)18(25)22-16-9-3-13(12-21)4-10-16/h3-10H,11H2,1-2H3,(H,22,25).
What are the key properties of N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide?
N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide has a molecular weight of 336.37 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-3-(4-fluorophenyl)-5,5-dimethyl-4H-pyrazole-1-carboxamide is sourced from PubChem (CID 171984837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).