3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide

C24H26N4O — CID 143869174

IUPAC3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide
SMILESCCc1nn(-c2ccc(C#N)c(C)c2)c(C)c1Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C24H26N4O/c1-6-23-22(14-18-8-7-9-19(13-18)24(29)27(4)5)17(3)28(26-23)21-11-10-20(15-25)16(2)12-21/h7-13H,6,14H2,1-5H3
InChIKeyKKFFUDONJDARFX-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.22
Rot. Bonds5

About 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide

3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide (PubChem CID 143869174) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide
PubChem CID143869174
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide
SMILESCCc1nn(-c2ccc(C#N)c(C)c2)c(C)c1Cc1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C24H26N4O/c1-6-23-22(14-18-8-7-9-19(13-18)24(29)27(4)5)17(3)28(26-23)21-11-10-20(15-25)16(2)12-21/h7-13H,6,14H2,1-5H3
InChIKeyKKFFUDONJDARFX-UHFFFAOYSA-N
XLogP4.22
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide (CID 143869174) is 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide is CCc1nn(-c2ccc(C#N)c(C)c2)c(C)c1Cc1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide?
The InChIKey is KKFFUDONJDARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-6-23-22(14-18-8-7-9-19(13-18)24(29)27(4)5)17(3)28(26-23)21-11-10-20(15-25)16(2)12-21/h7-13H,6,14H2,1-5H3.
What are the key properties of 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide?
3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide has a molecular weight of 386.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-cyano-3-methylphenyl)-3-ethyl-5-methylpyrazol-4-yl]methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 143869174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).