N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

C21H20F2N4O — CID 55892546

IUPACN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)nn1-c1ccccc1
InChIInChI=1S/C21H20F2N4O/c1-14-11-19(25-27(14)16-7-3-2-4-8-16)21(28)24-15-12-17(22)20(18(23)13-15)26-9-5-6-10-26/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,28)
InChIKeyAUVVQGZRESUHAC-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.31
Rot. Bonds4

About N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide

N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55892546) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID55892546
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC NameN-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)nn1-c1ccccc1
InChIInChI=1S/C21H20F2N4O/c1-14-11-19(25-27(14)16-7-3-2-4-8-16)21(28)24-15-12-17(22)20(18(23)13-15)26-9-5-6-10-26/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,28)
InChIKeyAUVVQGZRESUHAC-UHFFFAOYSA-N
XLogP4.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-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

5-acetamido-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-3-carboxamide
CID 51999445
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-[2-[(4-chlorobenzoyl)amino]phenyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55881703
N-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-5-methyl-1-phenylpyrazole-3-carboxamide;2,2,2-trifluoroacetic acid
CID 69181474
3-(2-chloro-6-fluorophenyl)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 52666564
N-(2-cyanophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 71684163
N-(2,4-dibromophenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 78884016
N-(2-fluorophenyl)-1-(4-methoxyphenyl)-5-methylpyrazole-3-carboxamide
CID 110373118
N-(5-bromo-2-morpholin-4-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55756561
propyl 4-[(5-methyl-1-phenylpyrazole-3-carbonyl)amino]benzoate
CID 55755392
(E)-N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-3-phenylprop-2-enamide
CID 52666568
5-methyl-N-[4-(oxolan-2-ylmethylcarbamoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55794303

Frequently Asked Questions

What is the IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide (CID 55892546) is N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(F)c(N3CCCC3)c(F)c2)nn1-c1ccccc1.
What is the InChIKey of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is AUVVQGZRESUHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-14-11-19(25-27(14)16-7-3-2-4-8-16)21(28)24-15-12-17(22)20(18(23)13-15)26-9-5-6-10-26/h2-4,7-8,11-13H,5-6,9-10H2,1H3,(H,24,28).
What are the key properties of N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide?
N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-difluoro-4-pyrrolidin-1-ylphenyl)-5-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55892546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).