1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide

C18H14Cl2FN3O — CID 55796545

IUPAC1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C18H14Cl2FN3O/c1-11-16(18(25)22-13-7-8-14(19)15(21)9-13)17(20)24(23-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,25)
InChIKeyBGACFTSIDRYADM-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.94
Rot. Bonds4

About 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide

1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 55796545) has the molecular formula C18H14Cl2FN3O and a molecular weight of 378.23 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
PubChem CID55796545
Molecular FormulaC18H14Cl2FN3O
Molecular Weight378.23 g/mol
Exact Mass377.05
IUPAC Name1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)c(F)c1
InChIInChI=1S/C18H14Cl2FN3O/c1-11-16(18(25)22-13-7-8-14(19)15(21)9-13)17(20)24(23-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,25)
InChIKeyBGACFTSIDRYADM-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

1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 2489518
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9270355
5-chloro-N-(4-fluorophenyl)-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 18292119
1-benzyl-5-chloro-3-methyl-N-(9-oxoxanthen-2-yl)pyrazole-4-carboxamide
CID 75398660
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
N-[3-[[acetyl(ethyl)amino]methyl]phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 34333420
5-chloro-1-[(2-chlorophenyl)methyl]-N-[4-(dimethylamino)-3,5-difluorophenyl]-3-methylpyrazole-4-carboxamide
CID 55861905
N-(3-carbamoylphenyl)-5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46530418

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide (CID 55796545) is 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)c(F)c1.
What is the InChIKey of 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is BGACFTSIDRYADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O/c1-11-16(18(25)22-13-7-8-14(19)15(21)9-13)17(20)24(23-11)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,22,25).
What are the key properties of 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide 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 1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55796545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).