1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole

C20H25N3 — CID 164751868

IUPAC1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole
SMILESCC1CCC(C2CCc3c(cnn3Cc3ccccc3)C2)=NC1
InChIInChI=1S/C20H25N3/c1-15-7-9-19(21-12-15)17-8-10-20-18(11-17)13-22-23(20)14-16-5-3-2-4-6-16/h2-6,13,15,17H,7-12,14H2,1H3
InChIKeyGTEVQXRLKXOAOP-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.91
Rot. Bonds3

About 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole

1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole (PubChem CID 164751868) has the molecular formula C20H25N3 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole
PubChem CID164751868
Molecular FormulaC20H25N3
Molecular Weight307.44 g/mol
Exact Mass307.20
IUPAC Name1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole
SMILESCC1CCC(C2CCc3c(cnn3Cc3ccccc3)C2)=NC1
InChIInChI=1S/C20H25N3/c1-15-7-9-19(21-12-15)17-8-10-20-18(11-17)13-22-23(20)14-16-5-3-2-4-6-16/h2-6,13,15,17H,7-12,14H2,1H3
InChIKeyGTEVQXRLKXOAOP-UHFFFAOYSA-N
XLogP3.91
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxamide
CID 163294861
1-benzyl-4,5,6,7-tetrahydroindazole-5-carbonyl chloride
CID 164753880
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-5-amine
CID 118578787
ethyl (5S)-1-benzyl-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 129354303
methyl (5R)-1-[(2,6-dichlorophenyl)methyl]-4,5,6,7-tetrahydroindazole-5-carboxylate
CID 97246984
1-benzyl-N-[(1-methylpyrazol-4-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 86772207
(4S)-1-benzyl-N-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 34543294
1-benzyl-4,5-dihydrobenzo[g]indazole
CID 134834345
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]-3-(dimethylamino)benzamide
CID 51939181
2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
CID 167868677
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole (CID 164751868) is 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole is CC1CCC(C2CCc3c(cnn3Cc3ccccc3)C2)=NC1.
What is the InChIKey of 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole?
The InChIKey is GTEVQXRLKXOAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3/c1-15-7-9-19(21-12-15)17-8-10-20-18(11-17)13-22-23(20)14-16-5-3-2-4-6-16/h2-6,13,15,17H,7-12,14H2,1H3.
What are the key properties of 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole?
1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole has a molecular weight of 307.44 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 164751868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).