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

C19H18ClN3O2 — CID 26914610

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-18(20)13(2)23(22-12)16-9-7-14(8-10-16)19(24)21-15-5-4-6-17(11-15)25-3/h4-11H,1-3H3,(H,21,24)
InChIKeyNLNWMKAQMDCLQB-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.40
Rot. Bonds4

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide (PubChem CID 26914610) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
PubChem CID26914610
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1
InChIInChI=1S/C19H18ClN3O2/c1-12-18(20)13(2)23(22-12)16-9-7-14(8-10-16)19(24)21-15-5-4-6-17(11-15)25-3/h4-11H,1-3H3,(H,21,24)
InChIKeyNLNWMKAQMDCLQB-UHFFFAOYSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-(2,5-dimethoxyphenyl)benzamide
CID 26415061
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-(4-methoxyphenyl)urea
CID 35281421
3-bromo-N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]benzamide
CID 35760792
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 46541622
N-(3-methoxyphenyl)-4-propan-2-ylbenzamide
CID 897049
N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832171
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide (CID 26914610) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide is COc1cccc(NC(=O)c2ccc(-n3nc(C)c(Cl)c3C)cc2)c1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide?
The InChIKey is NLNWMKAQMDCLQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-12-18(20)13(2)23(22-12)16-9-7-14(8-10-16)19(24)21-15-5-4-6-17(11-15)25-3/h4-11H,1-3H3,(H,21,24).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide has a molecular weight of 355.83 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide is sourced from PubChem (CID 26914610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).