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

C21H19ClN4O2 — CID 47071590

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide
SMILESCCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C21H19ClN4O2/c1-4-28-19-10-5-15(12-23)11-18(19)24-21(27)16-6-8-17(9-7-16)26-14(3)20(22)13(2)25-26/h5-11H,4H2,1-3H3,(H,24,27)
InChIKeyZTFNNGAQDCQLQI-UHFFFAOYSA-N
MW394.86 g/mol
LogP4.67
Rot. Bonds5

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

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide (PubChem CID 47071590) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide
PubChem CID47071590
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide
SMILESCCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1
InChIInChI=1S/C21H19ClN4O2/c1-4-28-19-10-5-15(12-23)11-18(19)24-21(27)16-6-8-17(9-7-16)26-14(3)20(22)13(2)25-26/h5-11H,4H2,1-3H3,(H,24,27)
InChIKeyZTFNNGAQDCQLQI-UHFFFAOYSA-N
XLogP4.67
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-cyanophenyl)benzamide
CID 26289954
N-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-4-[(4-cyanophenyl)methoxy]benzamide
CID 156902361
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
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 46436724
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 26902934
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
3-cyano-N-(2,5-diethoxyphenyl)benzamide
CID 29455083
N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55985472
ethyl (2R)-2-[(4-cyanobenzoyl)amino]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetate
CID 25486704

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide (CID 47071590) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide is CCOc1ccc(C#N)cc1NC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide?
The InChIKey is ZTFNNGAQDCQLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c1-4-28-19-10-5-15(12-23)11-18(19)24-21(27)16-6-8-17(9-7-16)26-14(3)20(22)13(2)25-26/h5-11H,4H2,1-3H3,(H,24,27).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(5-cyano-2-ethoxyphenyl)benzamide has a molecular weight of 394.86 g/mol, XLogP of 4.67, 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-(5-cyano-2-ethoxyphenyl)benzamide is sourced from PubChem (CID 47071590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).