N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C22H23ClN4O3 — CID 37081472

IUPACN-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1NC(C)=O
InChIInChI=1S/C22H23ClN4O3/c1-13(2)21-18(12-24-27(21)17-8-5-15(23)6-9-17)22(29)26-16-7-10-20(30-4)19(11-16)25-14(3)28/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyJVJNRGSYCJIJJF-UHFFFAOYSA-N
MW426.90 g/mol
LogP4.87
Rot. Bonds6

About N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 37081472) has the molecular formula C22H23ClN4O3 and a molecular weight of 426.90 g/mol. Its IUPAC name is N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID37081472
Molecular FormulaC22H23ClN4O3
Molecular Weight426.90 g/mol
Exact Mass426.15
IUPAC NameN-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1NC(C)=O
InChIInChI=1S/C22H23ClN4O3/c1-13(2)21-18(12-24-27(21)17-8-5-15(23)6-9-17)22(29)26-16-7-10-20(30-4)19(11-16)25-14(3)28/h5-13H,1-4H3,(H,25,28)(H,26,29)
InChIKeyJVJNRGSYCJIJJF-UHFFFAOYSA-N
XLogP4.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.90
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N-(4-methoxy-3-sulfamoylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55585196
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31814455
1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 56581255
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176
1-(4-chlorophenyl)-N'-(4-ethoxy-3-methoxybenzoyl)-5-propan-2-ylpyrazole-4-carbohydrazide
CID 46671387
N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46580476
N-(2-methoxy-5-nitrophenyl)-1-(4-methylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 47026238
N-(4-acetamidophenyl)-1-(4-fluorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31882537
1-(4-chlorophenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 46579031
1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 52570608
1-(4-chlorophenyl)-N-[3-(1,3-oxazol-2-yl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 71910271

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 37081472) is N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)cc1NC(C)=O.
What is the InChIKey of N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is JVJNRGSYCJIJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O3/c1-13(2)21-18(12-24-27(21)17-8-5-15(23)6-9-17)22(29)26-16-7-10-20(30-4)19(11-16)25-14(3)28/h5-13H,1-4H3,(H,25,28)(H,26,29).
What are the key properties of N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 426.90 g/mol, XLogP of 4.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methoxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 37081472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).