N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

C20H21N3O — CID 850704

IUPACN-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-10-11-19(15(2)12-14)22(4)20(24)18-13-21-23(16(18)3)17-8-6-5-7-9-17/h5-13H,1-4H3
InChIKeyAGEKNBHVEHZYGB-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.07
Rot. Bonds3

About N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide

N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 850704) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID850704
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1
InChIInChI=1S/C20H21N3O/c1-14-10-11-19(15(2)12-14)22(4)20(24)18-13-21-23(16(18)3)17-8-6-5-7-9-17/h5-13H,1-4H3
InChIKeyAGEKNBHVEHZYGB-UHFFFAOYSA-N
XLogP4.07
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide (CID 850704) is N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is Cc1ccc(N(C)C(=O)c2cnn(-c3ccccc3)c2C)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is AGEKNBHVEHZYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-10-11-19(15(2)12-14)22(4)20(24)18-13-21-23(16(18)3)17-8-6-5-7-9-17/h5-13H,1-4H3.
What are the key properties of N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide?
N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 850704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).