4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide

C17H10ClF4N3O — CID 19286680

IUPAC4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H10ClF4N3O/c18-10-3-1-9(2-4-10)17(26)23-14-5-6-25(24-14)8-11-15(21)12(19)7-13(20)16(11)22/h1-7H,8H2,(H,23,24,26)
InChIKeyQFQLOQUSQRYUGX-UHFFFAOYSA-N
MW383.73 g/mol
LogP4.39
Rot. Bonds4

About 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide

4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19286680) has the molecular formula C17H10ClF4N3O and a molecular weight of 383.73 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19286680
Molecular FormulaC17H10ClF4N3O
Molecular Weight383.73 g/mol
Exact Mass383.04
IUPAC Name4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(Cl)cc1
InChIInChI=1S/C17H10ClF4N3O/c18-10-3-1-9(2-4-10)17(26)23-14-5-6-25(24-14)8-11-15(21)12(19)7-13(20)16(11)22/h1-7H,8H2,(H,23,24,26)
InChIKeyQFQLOQUSQRYUGX-UHFFFAOYSA-N
XLogP4.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.73
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286615
2-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 19286661
3,5-dinitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286430
1-(difluoromethyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19286548
3-nitro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286417
4-(difluoromethoxy)-3-ethoxy-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286564
5-(2,4-dichlorophenyl)-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]-1,2-oxazole-3-carboxamide
CID 19286635
4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
4-[(2-chloro-4-nitrophenoxy)methyl]-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286561
1-benzyl-2,3-dimethyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]indole-5-carboxamide
CID 19286379
3-[(4-chlorophenoxy)methyl]-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286735
3,4-dimethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286906

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19286680) is 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2c(F)c(F)cc(F)c2F)n1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is QFQLOQUSQRYUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF4N3O/c18-10-3-1-9(2-4-10)17(26)23-14-5-6-25(24-14)8-11-15(21)12(19)7-13(20)16(11)22/h1-7H,8H2,(H,23,24,26).
What are the key properties of 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide?
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 383.73 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19286680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).