3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide

C17H8F7N3O2 — CID 19514191

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C17H8F7N3O2/c18-10-11(19)13(21)15(14(22)12(10)20)25-16(28)9-5-8(26-27-9)6-1-3-7(4-2-6)29-17(23)24/h1-5,17H,(H,25,28)(H,26,27)
InChIKeyKDXPKAFLYQUZOC-UHFFFAOYSA-N
MW419.26 g/mol
LogP4.63
Rot. Bonds5

About 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide

3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19514191) has the molecular formula C17H8F7N3O2 and a molecular weight of 419.26 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
PubChem CID19514191
Molecular FormulaC17H8F7N3O2
Molecular Weight419.26 g/mol
Exact Mass419.05
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C17H8F7N3O2/c18-10-11(19)13(21)15(14(22)12(10)20)25-16(28)9-5-8(26-27-9)6-1-3-7(4-2-6)29-17(23)24/h1-5,17H,(H,25,28)(H,26,27)
InChIKeyKDXPKAFLYQUZOC-UHFFFAOYSA-N
XLogP4.63
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.26
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-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

3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
3-[4-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrazole-5-carboxamide
CID 19514396
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167
dimethyl 5-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19514163
N-(1-benzyl-1,2,4-triazol-3-yl)-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514316
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
3-[4-(difluoromethoxy)phenyl]-N-(3-propan-2-yloxypropyl)-1H-pyrazole-5-carboxamide
CID 19514379
N-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514130
3-[[3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carbonyl]amino]-6-(difluoromethyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 19514263

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide (CID 19514191) is 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide is O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is KDXPKAFLYQUZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H8F7N3O2/c18-10-11(19)13(21)15(14(22)12(10)20)25-16(28)9-5-8(26-27-9)6-1-3-7(4-2-6)29-17(23)24/h1-5,17H,(H,25,28)(H,26,27).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide?
3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 419.26 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).