1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide

C26H24N6O — CID 86936591

IUPAC1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1
InChIInChI=1S/C26H24N6O/c1-18-25(19(2)32(30-18)17-21-8-4-3-5-9-21)26(33)27-22-13-11-20(12-14-22)16-24-29-28-23-10-6-7-15-31(23)24/h3-15H,16-17H2,1-2H3,(H,27,33)
InChIKeyQKLQXOFLWYIZJN-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.43
Rot. Bonds6

About 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide

1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide (PubChem CID 86936591) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide
PubChem CID86936591
Molecular FormulaC26H24N6O
Molecular Weight436.52 g/mol
Exact Mass436.20
IUPAC Name1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide
SMILESCc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1
InChIInChI=1S/C26H24N6O/c1-18-25(19(2)32(30-18)17-21-8-4-3-5-9-21)26(33)27-22-13-11-20(12-14-22)16-24-29-28-23-10-6-7-15-31(23)24/h3-15H,16-17H2,1-2H3,(H,27,33)
InChIKeyQKLQXOFLWYIZJN-UHFFFAOYSA-N
XLogP4.43
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3,5-dimethyl-N-(4-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 9179547
1-benzyl-N-(4-methoxyphenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9042189
1-benzyl-N-[3-(carbamoylamino)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 55539291
N-(1,3-benzodioxol-5-yl)-1-benzyl-3,5-dimethylpyrazole-4-carboxamide
CID 9036918
N-(4-methoxyphenyl)-3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxamide
CID 9042194
1-benzyl-N-(3-cyanophenyl)-3,5-dimethylpyrazole-4-carboxamide
CID 9269723
1-benzyl-N-[4-chloro-3-(trifluoromethyl)phenyl]-3,5-dimethylpyrazole-4-carboxamide
CID 9270355
1-benzyl-N-[5-[(4-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 86896891
1-benzyl-5-chloro-3-methyl-N-(4-propylphenyl)pyrazole-4-carboxamide
CID 9225352
methyl 4-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]benzoate
CID 9068802
1-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-(4-propan-2-ylphenyl)thiourea
CID 9271798
1-benzyl-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3,5-dimethylpyrazole-4-carboxamide
CID 26313603

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide (CID 86936591) is 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide is Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccc(Cc2nnc3ccccn23)cc1.
What is the InChIKey of 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is QKLQXOFLWYIZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-18-25(19(2)32(30-18)17-21-8-4-3-5-9-21)26(33)27-22-13-11-20(12-14-22)16-24-29-28-23-10-6-7-15-31(23)24/h3-15H,16-17H2,1-2H3,(H,27,33).
What are the key properties of 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide?
1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,5-dimethyl-N-[4-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 86936591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).