4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide

C20H21N3O — CID 826947

IUPAC4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC(C)C)cc2)n1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20(24)17-9-11-18(12-10-17)23-19(13-15(3)22-23)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,21,24)
InChIKeyYLKGAQRBFBOMRI-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.99
Rot. Bonds4

About 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide

4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide (PubChem CID 826947) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide
PubChem CID826947
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide
SMILESCc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC(C)C)cc2)n1
InChIInChI=1S/C20H21N3O/c1-14(2)21-20(24)17-9-11-18(12-10-17)23-19(13-15(3)22-23)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,21,24)
InChIKeyYLKGAQRBFBOMRI-UHFFFAOYSA-N
XLogP3.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide (CID 826947) is 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide is Cc1cc(-c2ccccc2)n(-c2ccc(C(=O)NC(C)C)cc2)n1.
What is the InChIKey of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide?
The InChIKey is YLKGAQRBFBOMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14(2)21-20(24)17-9-11-18(12-10-17)23-19(13-15(3)22-23)16-7-5-4-6-8-16/h4-14H,1-3H3,(H,21,24).
What are the key properties of 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide?
4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-phenylpyrazol-1-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 826947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).