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

C20H20ClN3O3 — CID 26415061

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-19(21)13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-11-16(26-3)9-10-18(17)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeyONWLDJUKHRHEJJ-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.41
Rot. Bonds5

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide (PubChem CID 26415061) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
PubChem CID26415061
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
SMILESCOc1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-19(21)13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-11-16(26-3)9-10-18(17)27-4/h5-11H,1-4H3,(H,22,25)
InChIKeyONWLDJUKHRHEJJ-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
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 35281376
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-chloro-N-(2,5-dimethoxyphenyl)-1,3-dimethylpyrazole-5-carboxamide
CID 4278668
4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,4-dimethoxyphenyl)benzamide
CID 55604797
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide
CID 47071590
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
4-[5-amino-3-(3-methylphenyl)pyrazol-1-yl]-N-(2,5-dimethoxyphenyl)benzamide
CID 44763648
methyl 4-[(2,5-dimethoxyphenyl)carbamoyl]benzoate
CID 16585566
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 26902934
4-N-(2,5-dimethoxyphenyl)-1-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049315

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide (CID 26415061) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide is COc1ccc(OC)c(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide?
The InChIKey is ONWLDJUKHRHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-19(21)13(2)24(23-12)15-7-5-14(6-8-15)20(25)22-17-11-16(26-3)9-10-18(17)27-4/h5-11H,1-4H3,(H,22,25).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)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 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 26415061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).