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

C18H12ClF4N3O3 — CID 19514246

IUPACN-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C18H12ClF4N3O3/c19-12-7-10(3-6-15(12)29-18(22)23)24-16(27)14-8-13(25-26-14)9-1-4-11(5-2-9)28-17(20)21/h1-8,17-18H,(H,24,27)(H,25,26)
InChIKeyKJSAJZOIQJMEPP-UHFFFAOYSA-N
MW429.76 g/mol
LogP5.19
Rot. Bonds7

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

N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 19514246) has the molecular formula C18H12ClF4N3O3 and a molecular weight of 429.76 g/mol. Its IUPAC name is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID19514246
Molecular FormulaC18H12ClF4N3O3
Molecular Weight429.76 g/mol
Exact Mass429.05
IUPAC NameN-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1
InChIInChI=1S/C18H12ClF4N3O3/c19-12-7-10(3-6-15(12)29-18(22)23)24-16(27)14-8-13(25-26-14)9-1-4-11(5-2-9)28-17(20)21/h1-8,17-18H,(H,24,27)(H,25,26)
InChIKeyKJSAJZOIQJMEPP-UHFFFAOYSA-N
XLogP5.19
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.76
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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-[4-(difluoromethoxy)-3-methoxyphenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508924
N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514240
3-[4-(difluoromethoxy)phenyl]-N-(2,3,4,5,6-pentafluorophenyl)-1H-pyrazole-5-carboxamide
CID 19514191
N-[4-[(3,4-diethoxyphenyl)methoxy]phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19514297
3-[4-(difluoromethoxy)phenyl]-N-methyl-1H-pyrazole-5-carboxamide
CID 19514374
3-(3,4-dichlorophenyl)-N-[2-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 19513637
N-[3-chloro-4-(difluoromethoxy)phenyl]-5-(4-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 112807637
3-(4-chlorophenyl)-N-[4-[4-(difluoromethoxy)phenyl]-1,3-thiazol-2-yl]-1H-pyrazole-5-carboxamide
CID 19509508
3-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62794200
3-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)-1H-pyrazole-5-carboxamide
CID 19514167

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide (CID 19514246) is N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2ccc(OC(F)F)cc2)n[nH]1.
What is the InChIKey of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is KJSAJZOIQJMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3O3/c19-12-7-10(3-6-15(12)29-18(22)23)24-16(27)14-8-13(25-26-14)9-1-4-11(5-2-9)28-17(20)21/h1-8,17-18H,(H,24,27)(H,25,26).
What are the key properties of N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide?
N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 429.76 g/mol, XLogP of 5.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(difluoromethoxy)phenyl]-3-[4-(difluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19514246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).