N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide

C17H12Cl2FN3O — CID 5302806

IUPACN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C17H12Cl2FN3O/c18-13-4-1-12(15(19)9-13)10-23-8-7-16(22-23)21-17(24)11-2-5-14(20)6-3-11/h1-9H,10H2,(H,21,22,24)
InChIKeyRZMIIIHNFYNUAB-UHFFFAOYSA-N
MW364.21 g/mol
LogP4.63
Rot. Bonds4

About N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide

N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide (PubChem CID 5302806) has the molecular formula C17H12Cl2FN3O and a molecular weight of 364.21 g/mol. Its IUPAC name is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
PubChem CID5302806
Molecular FormulaC17H12Cl2FN3O
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC NameN-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C17H12Cl2FN3O/c18-13-4-1-12(15(19)9-13)10-23-8-7-16(22-23)21-17(24)11-2-5-14(20)6-3-11/h1-9H,10H2,(H,21,22,24)
InChIKeyRZMIIIHNFYNUAB-UHFFFAOYSA-N
XLogP4.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 4865337
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
Gsk-5498A
CID 46945384
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
[7-(2,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450098
4-chloro-N-(1-phenylpyrazol-3-yl)benzamide
CID 810450
N-(1-benzyl-1H-pyrazol-3-yl)-3-fluorobenzamide
CID 1509639
4-chloro-N-[1-(2-cyanoethyl)pyrazol-3-yl]benzamide
CID 2334898
N-{1-[1-(4-chlorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-4-phenylbutanamide
CID 24790157
2-chloro-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24817303
2-chloro-N-{1-[1-(2-phenylpropyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24818855
3-fluoro-N-(1-{1-[(2E)-3-phenyl-2-propen-1-yl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24819214

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide (CID 5302806) is N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1ccc(F)cc1.
What is the InChIKey of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is RZMIIIHNFYNUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3O/c18-13-4-1-12(15(19)9-13)10-23-8-7-16(22-23)21-17(24)11-2-5-14(20)6-3-11/h1-9H,10H2,(H,21,22,24).
What are the key properties of N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide?
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 364.21 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 5302806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).