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

C17H9ClF5N3O — CID 19286709

IUPAC2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccccc1Cl
InChIInChI=1S/C17H9ClF5N3O/c18-10-4-2-1-3-8(10)17(27)24-11-5-6-26(25-11)7-9-12(19)14(21)16(23)15(22)13(9)20/h1-6H,7H2,(H,24,25,27)
InChIKeySCFUYQUDAPQDHX-UHFFFAOYSA-N
MW401.72 g/mol
LogP4.53
Rot. Bonds4

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

2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19286709) has the molecular formula C17H9ClF5N3O and a molecular weight of 401.72 g/mol. Its IUPAC name is 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19286709
Molecular FormulaC17H9ClF5N3O
Molecular Weight401.72 g/mol
Exact Mass401.04
IUPAC Name2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccccc1Cl
InChIInChI=1S/C17H9ClF5N3O/c18-10-4-2-1-3-8(10)17(27)24-11-5-6-26(25-11)7-9-12(19)14(21)16(23)15(22)13(9)20/h1-6H,7H2,(H,24,25,27)
InChIKeySCFUYQUDAPQDHX-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.72
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-nitro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286696
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2-iodobenzamide
CID 19285590
2,4-dichloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 19286881
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 4770357
N-[1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]-2-methylbenzamide
CID 59547949
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
4-chloro-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286680
2-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-5-methylsulfanylbenzamide
CID 19285625
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 1247534
3-methoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286725
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19283683

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19286709) is 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is SCFUYQUDAPQDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF5N3O/c18-10-4-2-1-3-8(10)17(27)24-11-5-6-26(25-11)7-9-12(19)14(21)16(23)15(22)13(9)20/h1-6H,7H2,(H,24,25,27).
What are the key properties of 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide?
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 401.72 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19286709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).