N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

C17H19N7O — CID 56731320

IUPACN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCn1ncc2c1CCCC2NC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H19N7O/c1-23-16-4-2-3-15(14(16)10-19-23)20-17(25)9-12-5-7-13(8-6-12)24-11-18-21-22-24/h5-8,10-11,15H,2-4,9H2,1H3,(H,20,25)
InChIKeyCYFJGBXXCGUKIJ-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.13
Rot. Bonds4

About N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide

N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (PubChem CID 56731320) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
PubChem CID56731320
Molecular FormulaC17H19N7O
Molecular Weight337.39 g/mol
Exact Mass337.17
IUPAC NameN-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide
SMILESCn1ncc2c1CCCC2NC(=O)Cc1ccc(-n2cnnn2)cc1
InChIInChI=1S/C17H19N7O/c1-23-16-4-2-3-15(14(16)10-19-23)20-17(25)9-12-5-7-13(8-6-12)24-11-18-21-22-24/h5-8,10-11,15H,2-4,9H2,1H3,(H,20,25)
InChIKeyCYFJGBXXCGUKIJ-UHFFFAOYSA-N
XLogP1.13
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94080097
3-amino-3-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 64683649
2-cyano-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 110470107
2-cyclopentyloxy-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetamide
CID 71939980
2-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]sulfanylacetic acid
CID 104569374
4-(methylamino)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)butanamide
CID 54925355
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)cyclopropanecarboxamide
CID 42958313
2-[(2-chlorophenyl)methoxy]-N-[(4R)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 94442452
6-amino-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)hexanamide
CID 43712066
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119730410
1-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1,3,4-thiadiazol-2-yl)urea
CID 47191515
N-pyrrolidin-3-yl-2-[4-(tetrazol-1-yl)phenyl]acetamide
CID 119453289

Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The IUPAC name of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide (CID 56731320) is N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide.
What is the SMILES notation for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The canonical SMILES for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is Cn1ncc2c1CCCC2NC(=O)Cc1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
The InChIKey is CYFJGBXXCGUKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7O/c1-23-16-4-2-3-15(14(16)10-19-23)20-17(25)9-12-5-7-13(8-6-12)24-11-18-21-22-24/h5-8,10-11,15H,2-4,9H2,1H3,(H,20,25).
What are the key properties of N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide?
N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide has a molecular weight of 337.39 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[4-(tetrazol-1-yl)phenyl]acetamide is sourced from PubChem (CID 56731320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).