N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide

C21H23N3O — CID 56501711

IUPACN-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccc(-n3cccn3)cc2)C(C)C)c1
InChIInChI=1S/C21H23N3O/c1-15(2)24(20-14-16(3)6-7-17(20)4)21(25)18-8-10-19(11-9-18)23-13-5-12-22-23/h5-15H,1-4H3
InChIKeyYGBDUQMIHCDWNV-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.54
Rot. Bonds4

About N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide

N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide (PubChem CID 56501711) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide
PubChem CID56501711
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide
SMILESCc1ccc(C)c(N(C(=O)c2ccc(-n3cccn3)cc2)C(C)C)c1
InChIInChI=1S/C21H23N3O/c1-15(2)24(20-14-16(3)6-7-17(20)4)21(25)18-8-10-19(11-9-18)23-13-5-12-22-23/h5-15H,1-4H3
InChIKeyYGBDUQMIHCDWNV-UHFFFAOYSA-N
XLogP4.54
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[di(propan-2-yl)amino]ethyl]-4-pyrazol-1-ylbenzamide
CID 18160782
[1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate
CID 46629971
N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-pyrazol-1-ylbenzamide
CID 9476165
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55702862
N-(1-hydroxypropan-2-yl)-4-pyrazol-1-ylbenzamide
CID 43418766
3-[(4-methylbenzoyl)-propan-2-ylamino]-1-(4-pyrazolo[1,5-a]pyrimidin-2-ylphenyl)pyrazole-4-carboxylic acid
CID 69398607
4-pyrazol-1-ylbenzoate
CID 5158283
N-(3-hydroxy-2-methylpropyl)-4-pyrazol-1-ylbenzamide
CID 65031869
2-[2,2-dimethylpropyl-(4-pyrazol-1-ylbenzoyl)amino]acetic acid
CID 138032285
N,7-dimethyl-4-oxo-N-[(4-pyrazol-1-ylphenyl)methyl]chromene-2-carboxamide
CID 70777675
2-methyl-5-pyrazol-1-ylbenzamide
CID 68604626
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-4-pyrazol-1-ylbenzamide
CID 78798770

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide (CID 56501711) is N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide is Cc1ccc(C)c(N(C(=O)c2ccc(-n3cccn3)cc2)C(C)C)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide?
The InChIKey is YGBDUQMIHCDWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-15(2)24(20-14-16(3)6-7-17(20)4)21(25)18-8-10-19(11-9-18)23-13-5-12-22-23/h5-15H,1-4H3.
What are the key properties of N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide?
N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide has a molecular weight of 333.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-N-propan-2-yl-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 56501711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).