N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide

C18H14ClF2N3O2 — CID 19283733

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H14ClF2N3O2/c19-14-6-4-12(5-7-14)11-24-9-8-16(23-24)22-17(25)13-2-1-3-15(10-13)26-18(20)21/h1-10,18H,11H2,(H,22,23,25)
InChIKeyAUHASGKNBYZCIR-UHFFFAOYSA-N
MW377.78 g/mol
LogP4.44
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide (PubChem CID 19283733) has the molecular formula C18H14ClF2N3O2 and a molecular weight of 377.78 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
PubChem CID19283733
Molecular FormulaC18H14ClF2N3O2
Molecular Weight377.78 g/mol
Exact Mass377.07
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H14ClF2N3O2/c19-14-6-4-12(5-7-14)11-24-9-8-16(23-24)22-17(25)13-2-1-3-15(10-13)26-18(20)21/h1-10,18H,11H2,(H,22,23,25)
InChIKeyAUHASGKNBYZCIR-UHFFFAOYSA-N
XLogP4.44
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.78
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19283768
3-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283686
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624
3-[(3-bromophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283705
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19403194
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)benzamide
CID 19285151
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-propan-2-ylphenoxy)methyl]benzamide
CID 19283696
N-[(4-chlorophenyl)methyl]-3-(difluoromethoxy)benzamide
CID 2092118
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283688
3-[(3-chlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19398867
4-[(3-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285169

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide (CID 19283733) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cccc(OC(F)F)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
The InChIKey is AUHASGKNBYZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O2/c19-14-6-4-12(5-7-14)11-24-9-8-16(23-24)22-17(25)13-2-1-3-15(10-13)26-18(20)21/h1-10,18H,11H2,(H,22,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide has a molecular weight of 377.78 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(difluoromethoxy)benzamide is sourced from PubChem (CID 19283733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).