N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

C22H23ClN4O2 — CID 39575068

IUPACN-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1
InChIInChI=1S/C22H23ClN4O2/c1-14(2)21-20(13-25-27(21)19-9-5-7-17(23)11-19)22(29)24-12-16-6-4-8-18(10-16)26-15(3)28/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyDDSMFZWFQGAXAH-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.54
Rot. Bonds6

About N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide

N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 39575068) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID39575068
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC NameN-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1
InChIInChI=1S/C22H23ClN4O2/c1-14(2)21-20(13-25-27(21)19-9-5-7-17(23)11-19)22(29)24-12-16-6-4-8-18(10-16)26-15(3)28/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,26,28)
InChIKeyDDSMFZWFQGAXAH-UHFFFAOYSA-N
XLogP4.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-chlorophenyl)-5-propan-2-yl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 55688332
N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55798341
N-[1-(3-acetamidophenyl)ethyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46581987
1-(3-chlorophenyl)-5-propan-2-yl-N-[[4-(propan-2-ylsulfamoylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 39695596
methyl 2-[[1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carbonyl]amino]acetate
CID 52570392
1-(3-chlorophenyl)-N-[2-(methylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 120832789
1-(3-chlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 37438164
1-(3-chlorophenyl)-N-(3-ethynylphenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31812512
1-(3-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 30838865
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31862135
N-[3-chloro-4-(2-methoxyethylcarbamoyl)phenyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55877770
1-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 112816075

Frequently Asked Questions

What is the IUPAC name of N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide (CID 39575068) is N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is CC(=O)Nc1cccc(CNC(=O)c2cnn(-c3cccc(Cl)c3)c2C(C)C)c1.
What is the InChIKey of N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is DDSMFZWFQGAXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-14(2)21-20(13-25-27(21)19-9-5-7-17(23)11-19)22(29)24-12-16-6-4-8-18(10-16)26-15(3)28/h4-11,13-14H,12H2,1-3H3,(H,24,29)(H,26,28).
What are the key properties of N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide?
N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 410.91 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-acetamidophenyl)methyl]-1-(3-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 39575068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).