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

C22H21N7O — CID 167989084

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C22H21N7O/c30-22(21-25-27-29(26-21)17-10-5-2-6-11-17)24-19-12-7-13-20-18(19)14-23-28(20)15-16-8-3-1-4-9-16/h1-6,8-11,14,19H,7,12-13,15H2,(H,24,30)
InChIKeyDPTYVSDZQKDQPR-UHFFFAOYSA-N
MW399.46 g/mol
LogP2.71
Rot. Bonds5

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

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide (PubChem CID 167989084) has the molecular formula C22H21N7O and a molecular weight of 399.46 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide
PubChem CID167989084
Molecular FormulaC22H21N7O
Molecular Weight399.46 g/mol
Exact Mass399.18
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide
SMILESO=C(NC1CCCc2c1cnn2Cc1ccccc1)c1nnn(-c2ccccc2)n1
InChIInChI=1S/C22H21N7O/c30-22(21-25-27-29(26-21)17-10-5-2-6-11-17)24-19-12-7-13-20-18(19)14-23-28(20)15-16-8-3-1-4-9-16/h1-6,8-11,14,19H,7,12-13,15H2,(H,24,30)
InChIKeyDPTYVSDZQKDQPR-UHFFFAOYSA-N
XLogP2.71
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-1H-pyrazole-5-carboxamide
CID 94241603
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-(2-methylphenyl)triazole-4-carboxamide
CID 167798452
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
1-benzyl-N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropane-1-carboxamide
CID 167862011
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-phenylsulfanylpropanamide
CID 46402155

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide (CID 167989084) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide is O=C(NC1CCCc2c1cnn2Cc1ccccc1)c1nnn(-c2ccccc2)n1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide?
The InChIKey is DPTYVSDZQKDQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O/c30-22(21-25-27-29(26-21)17-10-5-2-6-11-17)24-19-12-7-13-20-18(19)14-23-28(20)15-16-8-3-1-4-9-16/h1-6,8-11,14,19H,7,12-13,15H2,(H,24,30).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide has a molecular weight of 399.46 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-phenyltetrazole-5-carboxamide is sourced from PubChem (CID 167989084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).