4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide

C20H20ClN3O2 — CID 55886724

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-19(21)14(2)24(22-13)16-11-9-15(10-12-16)20(25)23(3)17-7-5-6-8-18(17)26-4/h5-12H,1-4H3
InChIKeyFTFVSJTZRKFFJM-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.43
Rot. Bonds4

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide (PubChem CID 55886724) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide
PubChem CID55886724
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide
SMILESCOc1ccccc1N(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C20H20ClN3O2/c1-13-19(21)14(2)24(22-13)16-11-9-15(10-12-16)20(25)23(3)17-7-5-6-8-18(17)26-4/h5-12H,1-4H3
InChIKeyFTFVSJTZRKFFJM-UHFFFAOYSA-N
XLogP4.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]benzamide
CID 26356006
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-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 60550448
[2-(N-methylanilino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502125
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-methyl-N-phenylbenzamide
CID 142429119
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
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
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(6-methoxy-3-pyridinyl)-N-methylbenzamide
CID 135331470
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(1,1-dioxothiolan-3-yl)-N-methylbenzamide
CID 51182796
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-3-(4-methoxyphenyl)urea
CID 35281421
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylbenzamide
CID 27788219

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide (CID 55886724) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide is COc1ccccc1N(C)C(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide?
The InChIKey is FTFVSJTZRKFFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-13-19(21)14(2)24(22-13)16-11-9-15(10-12-16)20(25)23(3)17-7-5-6-8-18(17)26-4/h5-12H,1-4H3.
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-methoxyphenyl)-N-methylbenzamide has a molecular weight of 369.85 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 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-(2-methoxyphenyl)-N-methylbenzamide is sourced from PubChem (CID 55886724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).