N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide

C20H21N3O — CID 1247478

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C20H21N3O/c1-14-9-7-8-12-18(14)13-23-16(3)19(15(2)22-23)21-20(24)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyABTWROPXFRYGQQ-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.11
Rot. Bonds4

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 1247478) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID1247478
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)c2ccccc2)c1C
InChIInChI=1S/C20H21N3O/c1-14-9-7-8-12-18(14)13-23-16(3)19(15(2)22-23)21-20(24)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyABTWROPXFRYGQQ-UHFFFAOYSA-N
XLogP4.11
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 ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 1247478) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1ccccc1Cn1nc(C)c(NC(=O)c2ccccc2)c1C.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is ABTWROPXFRYGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-9-7-8-12-18(14)13-23-16(3)19(15(2)22-23)21-20(24)17-10-5-4-6-11-17/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 1247478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).