1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole

C21H25N3 — CID 141304421

IUPAC1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
SMILESCn1ncc2c1CCCC2CCN1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C21H25N3/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,10-11,13,16,19H,5,8-9,12,14-15H2,1H3
InChIKeyATBNYNSFMXOSHD-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.14
Rot. Bonds4

About 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole

1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole (PubChem CID 141304421) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
PubChem CID141304421
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
SMILESCn1ncc2c1CCCC2CCN1C=CC(c2ccccc2)=CC1
InChIInChI=1S/C21H25N3/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,10-11,13,16,19H,5,8-9,12,14-15H2,1H3
InChIKeyATBNYNSFMXOSHD-UHFFFAOYSA-N
XLogP4.14
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-4-yl)ethanamine
CID 83861581
2-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)acetonitrile
CID 82591730
N-benzyl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43247637
4-[2-(4-methylpiperidin-1-yl)ethyl]-1-phenyl-4,5,6,7-tetrahydroindazole
CID 11524449
oxalic acid;1-phenyl-4-(2-piperidin-1-ylethyl)-4,5,6,7-tetrahydroindazole
CID 11682746
N'-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-N'-phenylethane-1,2-diamine
CID 71916265
ethyl 2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)acetate;2-(1-phenyl-4,5,6,7-tetrahydroindazol-4-yl)ethanol
CID 159074400
N-[2-(2-fluorophenyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254555
N-[2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-4-phenylbenzamide
CID 55635672
2-[1-(2,6-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]ethanamine
CID 82592742
N-(2-iodophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254701
N-(2-chlorophenyl)-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254584

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole (CID 141304421) is 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole is Cn1ncc2c1CCCC2CCN1C=CC(c2ccccc2)=CC1.
What is the InChIKey of 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is ATBNYNSFMXOSHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-23-21-9-5-8-19(20(21)16-22-23)12-15-24-13-10-18(11-14-24)17-6-3-2-4-7-17/h2-4,6-7,10-11,13,16,19H,5,8-9,12,14-15H2,1H3.
What are the key properties of 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole?
1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 319.45 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(4-phenyl-2H-pyridin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 141304421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).