4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

C18H13ClF3N3O2 — CID 35323043

IUPAC4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C18H13ClF3N3O2/c19-14-9-23-25(11-14)10-12-1-3-13(4-2-12)17(26)24-15-5-7-16(8-6-15)27-18(20,21)22/h1-9,11H,10H2,(H,24,26)
InChIKeyUZXWTLVMAYSYCW-UHFFFAOYSA-N
MW395.77 g/mol
LogP4.74
Rot. Bonds5

About 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide

4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (PubChem CID 35323043) has the molecular formula C18H13ClF3N3O2 and a molecular weight of 395.77 g/mol. Its IUPAC name is 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
PubChem CID35323043
Molecular FormulaC18H13ClF3N3O2
Molecular Weight395.77 g/mol
Exact Mass395.06
IUPAC Name4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2cc(Cl)cn2)cc1
InChIInChI=1S/C18H13ClF3N3O2/c19-14-9-23-25(11-14)10-12-1-3-13(4-2-12)17(26)24-15-5-7-16(8-6-15)27-18(20,21)22/h1-9,11H,10H2,(H,24,26)
InChIKeyUZXWTLVMAYSYCW-UHFFFAOYSA-N
XLogP4.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.77
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 5122579
N-(1,3-benzodioxol-5-yl)-4-[(4-chloropyrazol-1-yl)methyl]benzamide
CID 35322937
N-(3,4-dichlorophenyl)-4-(trifluoromethoxy)benzamide
CID 18267923
methyl 3-chloro-6-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1-benzothiophene-2-carboxylate
CID 17021846
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
4-(pyrazol-1-ylmethyl)-N-[3-(trifluoromethoxy)phenyl]benzamide
CID 38209826
4-[(4-chloropyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35323173
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
methyl 4-[[4-[(4-chloropyrazol-1-yl)methyl]benzoyl]amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748802
1-[(3-chlorophenyl)methyl]-6-oxo-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 26844094

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide (CID 35323043) is 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cn2cc(Cl)cn2)cc1.
What is the InChIKey of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is UZXWTLVMAYSYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O2/c19-14-9-23-25(11-14)10-12-1-3-13(4-2-12)17(26)24-15-5-7-16(8-6-15)27-18(20,21)22/h1-9,11H,10H2,(H,24,26).
What are the key properties of 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide?
4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 395.77 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloropyrazol-1-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 35323043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).