N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide

C18H14Cl2FN3O — CID 5302831

IUPACN-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H14Cl2FN3O/c1-11-8-17(22-18(25)12-3-6-15(21)7-4-12)24(23-11)10-13-2-5-14(19)9-16(13)20/h2-9H,10H2,1H3,(H,22,25)
InChIKeyMQEKOCRXJYSGFL-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.94
Rot. Bonds4

About N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide

N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide (PubChem CID 5302831) has the molecular formula C18H14Cl2FN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide
PubChem CID5302831
Molecular FormulaC18H14Cl2FN3O
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide
SMILESCc1cc(NC(=O)c2ccc(F)cc2)n(Cc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C18H14Cl2FN3O/c1-11-8-17(22-18(25)12-3-6-15(21)7-4-12)24(23-11)10-13-2-5-14(19)9-16(13)20/h2-9H,10H2,1H3,(H,22,25)
InChIKeyMQEKOCRXJYSGFL-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-(2-Chloro-4-Fluorobenzyl)-4-[(3,5-Dimethyl-1h-Pyrazol-1-Yl)methyl]benzamide
CID 91820715
2-(3-chloro-4-fluorophenyl)-N-(1-cyclohexyl-3-methyl-1H-pyrazol-5-yl)acetamide
CID 146014436
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
4-chloro-N-[4-(dimethylamino)-1-methyl-1H-indazol-3-yl]benzamide
CID 2813216
4-chloro-N-(4-chloro-1,3-dimethylpyrazol-5-yl)benzamide
CID 2818783
4-chloro-N-(1-methyl-1H-pyrazol-3-yl)benzamide
CID 16619202
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-(4-chlorophenyl)acetamide
CID 11046825
[7-(2,4-Dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 135450098
3-chloro-N-[1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 135753078

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide (CID 5302831) is N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide is Cc1cc(NC(=O)c2ccc(F)cc2)n(Cc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is MQEKOCRXJYSGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O/c1-11-8-17(22-18(25)12-3-6-15(21)7-4-12)24(23-11)10-13-2-5-14(19)9-16(13)20/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide?
N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 378.23 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 5302831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).