N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

C17H11ClF3N3O2 — CID 112807637

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H11ClF3N3O2/c18-13-7-11(5-6-14(13)26-17(20)21)23-16(25)12-8-22-24-15(12)9-1-3-10(19)4-2-9/h1-8,17H,(H,22,24)(H,23,25)
InChIKeyOMLAAEUOLHDAKJ-UHFFFAOYSA-N
MW381.74 g/mol
LogP4.72
Rot. Bonds5

About N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide

N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (PubChem CID 112807637) has the molecular formula C17H11ClF3N3O2 and a molecular weight of 381.74 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
PubChem CID112807637
Molecular FormulaC17H11ClF3N3O2
Molecular Weight381.74 g/mol
Exact Mass381.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C17H11ClF3N3O2/c18-13-7-11(5-6-14(13)26-17(20)21)23-16(25)12-8-22-24-15(12)9-1-3-10(19)4-2-9/h1-8,17H,(H,22,24)(H,23,25)
InChIKeyOMLAAEUOLHDAKJ-UHFFFAOYSA-N
XLogP4.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.74
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 37040728
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19510356
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514246
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)acetamide
CID 4842173
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26901535
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,5-dimethylthiophene-3-carboxamide
CID 37040206
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,3-dimethoxybenzamide
CID 26901544
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794200
2-chloro-N-[3-chloro-4-(difluoromethoxy)phenyl]acetamide
CID 4885557

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide (CID 112807637) is N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is OMLAAEUOLHDAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF3N3O2/c18-13-7-11(5-6-14(13)26-17(20)21)23-16(25)12-8-22-24-15(12)9-1-3-10(19)4-2-9/h1-8,17H,(H,22,24)(H,23,25).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 381.74 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 112807637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).