N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

C22H23N5O — CID 135729837

IUPACN-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2=C(C)n3nc(C)c(-c4ccccc4)c3NN2)cc1
InChIInChI=1S/C22H23N5O/c1-4-16-10-12-18(13-11-16)23-22(28)20-15(3)27-21(25-24-20)19(14(2)26-27)17-8-6-5-7-9-17/h5-13,24-25H,4H2,1-3H3,(H,23,28)
InChIKeyGIVRDHIXFCHNNG-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.18
Rot. Bonds4

About N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide

N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (PubChem CID 135729837) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
PubChem CID135729837
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC NameN-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide
SMILESCCc1ccc(NC(=O)C2=C(C)n3nc(C)c(-c4ccccc4)c3NN2)cc1
InChIInChI=1S/C22H23N5O/c1-4-16-10-12-18(13-11-16)23-22(28)20-15(3)27-21(25-24-20)19(14(2)26-27)17-8-6-5-7-9-17/h5-13,24-25H,4H2,1-3H3,(H,23,28)
InChIKeyGIVRDHIXFCHNNG-UHFFFAOYSA-N
XLogP4.18
TPSA70.98 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-N-(4-ethylphenyl)-5-phenyl-1,2,4-triazole-3-carboxamide
CID 50745606
5-ethyl-3-methyl-N,1-diphenylpyrazole-4-carboxamide
CID 163806603
N-(4-ethylphenyl)benzamide
CID 774063
4-chloro-N-(4-ethylphenyl)-3-methyl-1-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 7423455
N-(4-ethylphenyl)-7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1103627
N-(4-ethylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281528
N-(4-ethylphenyl)-6-phenylpyridazine-3-carboxamide
CID 113200612
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
5-(N-ethylanilino)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109198416
N-(3,4-dimethylphenyl)-7-ethyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 5009049
N-(4-ethylphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771775

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide (CID 135729837) is N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is CCc1ccc(NC(=O)C2=C(C)n3nc(C)c(-c4ccccc4)c3NN2)cc1.
What is the InChIKey of N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
The InChIKey is GIVRDHIXFCHNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-4-16-10-12-18(13-11-16)23-22(28)20-15(3)27-21(25-24-20)19(14(2)26-27)17-8-6-5-7-9-17/h5-13,24-25H,4H2,1-3H3,(H,23,28).
What are the key properties of N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide?
N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-4,7-dimethyl-8-phenyl-1,2-dihydropyrazolo[5,1-c][1,2,4]triazine-3-carboxamide is sourced from PubChem (CID 135729837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).