4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide

C21H23N3O — CID 9110177

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)n1
InChIInChI=1S/C21H23N3O/c1-14(2)19-7-5-6-8-20(19)22-21(25)17-9-11-18(12-10-17)24-16(4)13-15(3)23-24/h5-14H,1-4H3,(H,22,25)
InChIKeyPTEBFKBCWRVGMX-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.86
Rot. Bonds4

About 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide (PubChem CID 9110177) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
PubChem CID9110177
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)n1
InChIInChI=1S/C21H23N3O/c1-14(2)19-7-5-6-8-20(19)22-21(25)17-9-11-18(12-10-17)24-16(4)13-15(3)23-24/h5-14H,1-4H3,(H,22,25)
InChIKeyPTEBFKBCWRVGMX-UHFFFAOYSA-N
XLogP4.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylphenyl)benzamide
CID 2354201
6-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)pyridazine-3-carboxamide
CID 71791844
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(2,2,2-trifluoroethylamino)phenyl]benzamide
CID 47829643
N-[2-[[4-(3,5-dimethylpyrazol-1-yl)benzoyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 55972966
4-(3,5-dimethylpyrazol-1-yl)-N-naphthalen-2-ylbenzamide
CID 2353958
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905415
methyl 3-[3,5-dimethyl-1-[4-[(2-propan-2-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate
CID 18228784
N-(2-propan-2-ylphenyl)-4-(1,2,4-triazol-1-yl)benzamide
CID 51192150
N-(2-propan-2-ylphenyl)benzamide
CID 723391
N-(2-aminophenyl)-4-(3,5-dimethylpyrazol-1-yl)benzamide;4-(3,5-dimethylpyrazol-1-yl)benzoic acid;4-hydrazinylbenzoic acid
CID 162052991
4-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)benzamide
CID 26365102
N-(5,6-dimethyl-2-oxo-1H-pyridin-3-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 155919513

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide (CID 9110177) is 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide?
The InChIKey is PTEBFKBCWRVGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14(2)19-7-5-6-8-20(19)22-21(25)17-9-11-18(12-10-17)24-16(4)13-15(3)23-24/h5-14H,1-4H3,(H,22,25).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide has a molecular weight of 333.44 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(2-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 9110177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).