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

C20H20ClN3O2 — CID 2489518

IUPAC1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-26-17-11-9-16(10-12-17)22-20(25)18-14(2)23-24(19(18)21)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyBPKXFUFPDSXOAU-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.54
Rot. Bonds6

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

1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide (PubChem CID 2489518) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
PubChem CID2489518
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1
InChIInChI=1S/C20H20ClN3O2/c1-3-26-17-11-9-16(10-12-17)22-20(25)18-14(2)23-24(19(18)21)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,22,25)
InChIKeyBPKXFUFPDSXOAU-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-5-chloro-N-[4-[2-(dimethylamino)-2-oxoethoxy]phenyl]-3-methylpyrazole-4-carboxamide
CID 32942611
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
1-benzyl-5-chloro-N-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 8893300
1-benzyl-5-chloro-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 7957023
1-benzyl-5-chloro-N-(4-chloro-3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 55796545
1-benzyl-5-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-methylpyrazole-4-carboxamide
CID 26251673
methyl 2-[[4-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]benzoyl]amino]acetate
CID 55396902
N-[4-(azepan-1-yl)phenyl]-1-benzyl-5-chloro-3-methylpyrazole-4-carboxamide
CID 9279016
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-benzyl-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55806857
1-benzyl-5-chloro-N-(3-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9042502
5-chloro-N-[4-(difluoromethoxy)phenyl]-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 26246271

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide (CID 2489518) is 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide is CCOc1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1.
What is the InChIKey of 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide?
The InChIKey is BPKXFUFPDSXOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-3-26-17-11-9-16(10-12-17)22-20(25)18-14(2)23-24(19(18)21)13-15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3,(H,22,25).
What are the key properties of 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide?
1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-N-(4-ethoxyphenyl)-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 2489518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).