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

C17H11Cl2F2N3O2 — CID 19513637

IUPAC3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C17H11Cl2F2N3O2/c18-10-6-5-9(7-11(10)19)13-8-14(24-23-13)16(25)22-12-3-1-2-4-15(12)26-17(20)21/h1-8,17H,(H,22,25)(H,23,24)
InChIKeyYHKFJOJNENJBJQ-UHFFFAOYSA-N
MW398.20 g/mol
LogP5.24
Rot. Bonds5

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

3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19513637) has the molecular formula C17H11Cl2F2N3O2 and a molecular weight of 398.20 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19513637
Molecular FormulaC17H11Cl2F2N3O2
Molecular Weight398.20 g/mol
Exact Mass397.02
IUPAC Name3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccccc1OC(F)F)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1
InChIInChI=1S/C17H11Cl2F2N3O2/c18-10-6-5-9(7-11(10)19)13-8-14(24-23-13)16(25)22-12-3-1-2-4-15(12)26-17(20)21/h1-8,17H,(H,22,25)(H,23,24)
InChIKeyYHKFJOJNENJBJQ-UHFFFAOYSA-N
XLogP5.24
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.20
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513329
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514552
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
N-(2,6-dichlorophenyl)-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513521
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-[2-(difluoromethoxy)phenyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803152
N-[2-(difluoromethoxy)phenyl]-1H-indole-2-carboxamide
CID 51145679
N-(2,5-dichlorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030500
N-(2-aminophenyl)-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 90908320
N-(2-chlorophenyl)-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53008238

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 19513637) is 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccccc1OC(F)F)c1cc(-c2ccc(Cl)c(Cl)c2)n[nH]1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YHKFJOJNENJBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2F2N3O2/c18-10-6-5-9(7-11(10)19)13-8-14(24-23-13)16(25)22-12-3-1-2-4-15(12)26-17(20)21/h1-8,17H,(H,22,25)(H,23,24).
What are the key properties of 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 398.20 g/mol, XLogP of 5.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19513637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).