N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide

C19H22N6O — CID 45234636

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)Cn2cncn2)c1
InChIInChI=1S/C19H22N6O/c1-13-6-14(2)8-15(7-13)25-18-5-3-4-17(16(18)9-21-25)23-19(26)10-24-12-20-11-22-24/h6-9,11-12,17H,3-5,10H2,1-2H3,(H,23,26)
InChIKeyRGDXWEMRYYKQDH-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.27
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide (PubChem CID 45234636) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
PubChem CID45234636
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide
SMILESCc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)Cn2cncn2)c1
InChIInChI=1S/C19H22N6O/c1-13-6-14(2)8-15(7-13)25-18-5-3-4-17(16(18)9-21-25)23-19(26)10-24-12-20-11-22-24/h6-9,11-12,17H,3-5,10H2,1-2H3,(H,23,26)
InChIKeyRGDXWEMRYYKQDH-UHFFFAOYSA-N
XLogP2.27
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97145523
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyridin-3-ylacetamide
CID 45206380
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pent-4-enamide
CID 45247840
2-(2,5-dimethoxyphenyl)-N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]acetamide
CID 42193500
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiadiazole-4-carboxamide
CID 24794037
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 42455229
N-[(4R)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 77068373
N-[(5R)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453782
N-[(5S)-2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-5-yl]-2-(1,2,4-triazol-1-yl)acetamide
CID 42453777
N-[(4S)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 42290126
N-[(4S)-1-(3,5-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-hydroxyacetamide
CID 97125555
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131899205

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide (CID 45234636) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide is Cc1cc(C)cc(-n2ncc3c2CCCC3NC(=O)Cn2cncn2)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
The InChIKey is RGDXWEMRYYKQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-13-6-14(2)8-15(7-13)25-18-5-3-4-17(16(18)9-21-25)23-19(26)10-24-12-20-11-22-24/h6-9,11-12,17H,3-5,10H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide has a molecular weight of 350.43 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(1,2,4-triazol-1-yl)acetamide is sourced from PubChem (CID 45234636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).