N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

C20H20ClN3O3 — CID 26877253

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-12-9-13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-10-16(21)18(26-3)11-19(17)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeySCXMVCGUHWMALV-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.41
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide

N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 26877253) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID26877253
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCOc1cc(OC)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1Cl
InChIInChI=1S/C20H20ClN3O3/c1-12-9-13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-10-16(21)18(26-3)11-19(17)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeySCXMVCGUHWMALV-UHFFFAOYSA-N
XLogP4.41
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxy-5-sulfamoylphenyl)benzamide
CID 55471494
N-(5-chloro-2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 836286
N-(5-chloro-2,4-dimethoxyphenyl)benzamide
CID 835257
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
4-chloro-N-[4-(3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 34846987
methyl 3-[1-[4-[(4-chloro-2,5-dimethoxyphenyl)carbamoyl]phenyl]-3,5-dimethylpyrazol-4-yl]propanoate
CID 26312265
ethyl 5-amino-1-[4-[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363346
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(5-methylpyrazol-1-yl)benzamide
CID 9270943
N-(5-chloro-2,4-dimethoxyphenyl)-4-(triazolo[4,5-b]pyridin-3-yl)benzamide
CID 53006189
N-(5-bromo-4-methoxy-2-pyridinyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 75394297
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 1244395

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide (CID 26877253) is N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is COc1cc(OC)c(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1Cl.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is SCXMVCGUHWMALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-9-13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-10-16(21)18(26-3)11-19(17)27-4/h5-11H,1-4H3,(H,22,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 385.85 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 26877253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).