N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

C21H22FN3O — CID 42758503

IUPACN-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H22FN3O/c1-14-6-5-7-17(12-14)25-19(20(26)23-21(2,3)4)13-18(24-25)15-8-10-16(22)11-9-15/h5-13H,1-4H3,(H,23,26)
InChIKeyJERLICYZBSSRTL-UHFFFAOYSA-N
MW351.43 g/mol
LogP4.52
Rot. Bonds3

About N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide

N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (PubChem CID 42758503) has the molecular formula C21H22FN3O and a molecular weight of 351.43 g/mol. Its IUPAC name is N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
PubChem CID42758503
Molecular FormulaC21H22FN3O
Molecular Weight351.43 g/mol
Exact Mass351.17
IUPAC NameN-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
SMILESCc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C21H22FN3O/c1-14-6-5-7-17(12-14)25-19(20(26)23-21(2,3)4)13-18(24-25)15-8-10-16(22)11-9-15/h5-13H,1-4H3,(H,23,26)
InChIKeyJERLICYZBSSRTL-UHFFFAOYSA-N
XLogP4.52
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxylic acid
CID 812159
N-(3,3-diphenylpropyl)-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 5199691
3-(4-fluorophenyl)-1-(3-methylphenyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)pyrazole-5-carboxamide
CID 7499258
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
N-(3-methylbutan-2-yl)-1-(3-methylphenyl)-3-phenylpyrazole-5-carboxamide
CID 3975682
1,3-bis(4-fluorophenyl)-N-(4-methylphenyl)pyrazole-5-carboxamide
CID 4638093
N-tert-butyl-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685975
N-(2-fluorophenyl)-1-(3-methylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3271382
N-tert-butyl-1-(2,4-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3881945
1-(3-chlorophenyl)-3-(4-fluorophenyl)-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 3945294
2-[[1-(3-chlorophenyl)-3-(4-fluorophenyl)pyrazole-5-carbonyl]amino]ethyl-dimethylazanium
CID 7231781

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide (CID 42758503) is N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is Cc1cccc(-n2nc(-c3ccc(F)cc3)cc2C(=O)NC(C)(C)C)c1.
What is the InChIKey of N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
The InChIKey is JERLICYZBSSRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O/c1-14-6-5-7-17(12-14)25-19(20(26)23-21(2,3)4)13-18(24-25)15-8-10-16(22)11-9-15/h5-13H,1-4H3,(H,23,26).
What are the key properties of N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide?
N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide has a molecular weight of 351.43 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 42758503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).