N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide

C24H24N6O — CID 167798452

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)nn1
InChIInChI=1S/C24H24N6O/c1-17-8-5-6-12-22(17)30-16-21(27-28-30)24(31)26-20-11-7-13-23-19(20)14-25-29(23)15-18-9-3-2-4-10-18/h2-6,8-10,12,14,16,20H,7,11,13,15H2,1H3,(H,26,31)
InChIKeySZNGUCCKOWFICV-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.63
Rot. Bonds5

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide (PubChem CID 167798452) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide
PubChem CID167798452
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide
SMILESCc1ccccc1-n1cc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)nn1
InChIInChI=1S/C24H24N6O/c1-17-8-5-6-12-22(17)30-16-21(27-28-30)24(31)26-20-11-7-13-23-19(20)14-25-29(23)15-18-9-3-2-4-10-18/h2-6,8-10,12,14,16,20H,7,11,13,15H2,1H3,(H,26,31)
InChIKeySZNGUCCKOWFICV-UHFFFAOYSA-N
XLogP3.63
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide
CID 167989084
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)imidazo[1,2-a]pyrimidine-2-carboxamide
CID 167788077
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-8-ethylquinoline-2-carboxamide
CID 167925388
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
methyl 5-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylate
CID 167751058
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
CID 167955144

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide (CID 167798452) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide is Cc1ccccc1-n1cc(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)nn1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide?
The InChIKey is SZNGUCCKOWFICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-8-5-6-12-22(17)30-16-21(27-28-30)24(31)26-20-11-7-13-23-19(20)14-25-29(23)15-18-9-3-2-4-10-18/h2-6,8-10,12,14,16,20H,7,11,13,15H2,1H3,(H,26,31).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide has a molecular weight of 412.50 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 167798452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).