1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide

C20H18N4O — CID 9269723

IUPAC1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H18N4O/c1-14-19(20(25)22-18-10-6-9-17(11-18)12-21)15(2)24(23-14)13-16-7-4-3-5-8-16/h3-11H,13H2,1-2H3,(H,22,25)
InChIKeyDQYCORBCKNHFPV-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.67
Rot. Bonds4

About 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide

1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 9269723) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID9269723
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(C#N)c1
InChIInChI=1S/C20H18N4O/c1-14-19(20(25)22-18-10-6-9-17(11-18)12-21)15(2)24(23-14)13-16-7-4-3-5-8-16/h3-11H,13H2,1-2H3,(H,22,25)
InChIKeyDQYCORBCKNHFPV-UHFFFAOYSA-N
XLogP3.67
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291
1-benzyl-N-[3-(dimethylsulfamoyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9207961
1-[(3-cyanophenyl)methyl]-3,5-dimethylpyrazole-4-carboxylic acid
CID 43565410
5-chloro-N-(3-cyanophenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 26245567
1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
1-benzyl-3,5-dimethyl-N-[3-(5-oxopyrrolidin-2-yl)phenyl]pyrazole-4-carboxamide
CID 166237160
1-benzyl-N-[3-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 86835892
N-(1,3-benzodioxol-5-yl)-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
CID 9036918
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9270355
1-benzyl-3,5-dimethyl-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrazole-4-carboxamide
CID 55617228
1-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-(3-chlorophenyl)thiourea
CID 9376642

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide (CID 9269723) is 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(C#N)c1.
What is the InChIKey of 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is DQYCORBCKNHFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14-19(20(25)22-18-10-6-9-17(11-18)12-21)15(2)24(23-14)13-16-7-4-3-5-8-16/h3-11H,13H2,1-2H3,(H,22,25).
What are the key properties of 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide?
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 9269723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).