N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide

C22H20ClN5O2 — CID 50780768

IUPACN-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Cl)cc4C)c(C)n3)cc2)no1
InChIInChI=1S/C22H20ClN5O2/c1-4-20-25-21(27-30-20)15-5-8-17(9-6-15)28-12-18(14(3)26-28)22(29)24-19-10-7-16(23)11-13(19)2/h5-12H,4H2,1-3H3,(H,24,29)
InChIKeySGWPVAMFTCIXKP-UHFFFAOYSA-N
MW421.89 g/mol
LogP5.01
Rot. Bonds5

About N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide

N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide (PubChem CID 50780768) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
PubChem CID50780768
Molecular FormulaC22H20ClN5O2
Molecular Weight421.89 g/mol
Exact Mass421.13
IUPAC NameN-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
SMILESCCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Cl)cc4C)c(C)n3)cc2)no1
InChIInChI=1S/C22H20ClN5O2/c1-4-20-25-21(27-30-20)15-5-8-17(9-6-15)28-12-18(14(3)26-28)22(29)24-19-10-7-16(23)11-13(19)2/h5-12H,4H2,1-3H3,(H,24,29)
InChIKeySGWPVAMFTCIXKP-UHFFFAOYSA-N
XLogP5.01
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.89
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-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

N-(2,4-difluorophenyl)-3-methyl-1-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrazole-4-carboxamide
CID 50780812
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2-ethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780823
N-(4-chloro-2-methylphenyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110420937
1-[4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(2,3-dimethylphenyl)-3-methylpyrazole-4-carboxamide
CID 50780800
N-(3-chloro-4-methylphenyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50767274
N-[2-(2,4-dimethylanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780544
N-[2-(3-chloroanilino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 50780349
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 50780675
N-[(2-chlorophenyl)methyl]-1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide
CID 50780655
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-4-morpholin-4-ylphenyl)propanamide
CID 55615243
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(4-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780609
1-[4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 50780674

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide (CID 50780768) is N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide is CCc1nc(-c2ccc(-n3cc(C(=O)Nc4ccc(Cl)cc4C)c(C)n3)cc2)no1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is SGWPVAMFTCIXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-4-20-25-21(27-30-20)15-5-8-17(9-6-15)28-12-18(14(3)26-28)22(29)24-19-10-7-16(23)11-13(19)2/h5-12H,4H2,1-3H3,(H,24,29).
What are the key properties of N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide?
N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-1-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 50780768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).