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

C20H21N3O — CID 19336310

IUPAC2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1cccc(Cn2cc(NC(=O)c3cc(C)ccc3C)cn2)c1
InChIInChI=1S/C20H21N3O/c1-14-5-4-6-17(9-14)12-23-13-18(11-21-23)22-20(24)19-10-15(2)7-8-16(19)3/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyXGCIUDILRIRBLK-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.11
Rot. Bonds4

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

2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19336310) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19336310
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1cccc(Cn2cc(NC(=O)c3cc(C)ccc3C)cn2)c1
InChIInChI=1S/C20H21N3O/c1-14-5-4-6-17(9-14)12-23-13-18(11-21-23)22-20(24)19-10-15(2)7-8-16(19)3/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKeyXGCIUDILRIRBLK-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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Related Compounds

2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
1-ethyl-5-methyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-4-carboxamide
CID 19280821
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-2-nitrobenzamide
CID 19336158
2,4-dimethyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346909
2-methyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401906
2,5-dimethyl-N-[1-[(2,3,4,6-tetrafluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407997
4-cyano-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 39853571
4,5-dibromo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-3-carboxamide
CID 19508563
4-iodo-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19479936
4-bromo-1-ethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-5-carboxamide
CID 19476743

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide (CID 19336310) is 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide is Cc1cccc(Cn2cc(NC(=O)c3cc(C)ccc3C)cn2)c1.
What is the InChIKey of 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is XGCIUDILRIRBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-14-5-4-6-17(9-14)12-23-13-18(11-21-23)22-20(24)19-10-15(2)7-8-16(19)3/h4-11,13H,12H2,1-3H3,(H,22,24).
What are the key properties of 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide?
2,5-dimethyl-N-[1-[(3-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 2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19336310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).