2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide

C22H23ClN4O2 — CID 46436724

IUPAC2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2)c(C)c1Cl
InChIInChI=1S/C22H23ClN4O2/c1-13(2)24-22(29)18-7-5-6-8-19(18)25-21(28)16-9-11-17(12-10-16)27-15(4)20(23)14(3)26-27/h5-13H,1-4H3,(H,24,29)(H,25,28)
InChIKeyUZIAUBSPRUOHML-UHFFFAOYSA-N
MW410.91 g/mol
LogP4.53
Rot. Bonds5

About 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide

2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 46436724) has the molecular formula C22H23ClN4O2 and a molecular weight of 410.91 g/mol. Its IUPAC name is 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
PubChem CID46436724
Molecular FormulaC22H23ClN4O2
Molecular Weight410.91 g/mol
Exact Mass410.15
IUPAC Name2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
SMILESCc1nn(-c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2)c(C)c1Cl
InChIInChI=1S/C22H23ClN4O2/c1-13(2)24-22(29)18-7-5-6-8-19(18)25-21(28)16-9-11-17(12-10-16)27-15(4)20(23)14(3)26-27/h5-13H,1-4H3,(H,24,29)(H,25,28)
InChIKeyUZIAUBSPRUOHML-UHFFFAOYSA-N
XLogP4.53
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.91
LogP ≤ 54.53
H-Bond Donors ≤ 52
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-phenylmethoxybenzamide
CID 26179891
N-(5-chloro-2,4-dimethoxyphenyl)-4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzamide
CID 42057925
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 26415061
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
N-[2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-4-fluorophenyl]pyridine-2-carboxamide
CID 55985472
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-(4-cyanophenyl)benzamide
CID 26289954
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(4-methylsulfonylphenyl)benzamide
CID 26239294

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide (CID 46436724) is 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide is Cc1nn(-c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2)c(C)c1Cl.
What is the InChIKey of 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is UZIAUBSPRUOHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O2/c1-13(2)24-22(29)18-7-5-6-8-19(18)25-21(28)16-9-11-17(12-10-16)27-15(4)20(23)14(3)26-27/h5-13H,1-4H3,(H,24,29)(H,25,28).
What are the key properties of 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide?
2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 410.91 g/mol, XLogP of 4.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46436724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).