1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole

C17H20N2 — CID 143116710

IUPAC1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
SMILESC/C=C/c1nn(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C17H20N2/c1-2-8-16-15-11-6-7-12-17(15)19(18-16)13-14-9-4-3-5-10-14/h2-5,8-10H,6-7,11-13H2,1H3/b8-2+
InChIKeyNRZJLLDPUWTLJE-KRXBUXKQSA-N
MW252.36 g/mol
LogP3.84
Rot. Bonds3

About 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole

1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole (PubChem CID 143116710) has the molecular formula C17H20N2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
PubChem CID143116710
Molecular FormulaC17H20N2
Molecular Weight252.36 g/mol
Exact Mass252.16
IUPAC Name1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole
SMILESC/C=C/c1nn(Cc2ccccc2)c2c1CCCC2
InChIInChI=1S/C17H20N2/c1-2-8-16-15-11-6-7-12-17(15)19(18-16)13-14-9-4-3-5-10-14/h2-5,8-10H,6-7,11-13H2,1H3/b8-2+
InChIKeyNRZJLLDPUWTLJE-KRXBUXKQSA-N
XLogP3.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(bromomethyl)-4,5,6,7-tetrahydroindazole
CID 10614502
1-benzyl-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 59836272
1-benzyl-3-(dimethoxymethyl)-4,5,6,7-tetrahydroindazole;ethane
CID 143116778
1-benzyl-6-methyl-3-[(E)-prop-1-enyl]-6,7-dihydropyrano[4,3-c]pyrazol-4-one
CID 13164470
1-benzyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 58713629
(E)-2-(1-benzyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)ethenesulfonic acid
CID 87590238
2-(1-benzyl-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)ethenesulfonic acid
CID 90967428
1-benzyl-N-[(1R)-1-phenylethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 143116638
(E)-2-(1-benzyl-5-oxo-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-3-yl)ethenesulfonic acid
CID 87590153
1-benzyl-3-(2,5-dihydro-1H-tetrazol-5-yl)-5,6-dihydro-4H-cyclopenta[d]pyrazole
CID 143047101
3-benzyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 122379886
4-[[3-[6-[1-[(4-carboxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-3-yl]-2-pyridinyl]-4,5,6,7-tetrahydroindazol-1-yl]methyl]benzoic acid
CID 100963446

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole?
The IUPAC name of 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole (CID 143116710) is 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole?
The canonical SMILES for 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole is C/C=C/c1nn(Cc2ccccc2)c2c1CCCC2.
What is the InChIKey of 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole?
The InChIKey is NRZJLLDPUWTLJE-KRXBUXKQSA-N. The full InChI is InChI=1S/C17H20N2/c1-2-8-16-15-11-6-7-12-17(15)19(18-16)13-14-9-4-3-5-10-14/h2-5,8-10H,6-7,11-13H2,1H3/b8-2+.
What are the key properties of 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole?
1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole has a molecular weight of 252.36 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(E)-prop-1-enyl]-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 143116710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).