(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole

C17H22N2 — CID 852817

IUPAC(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCC(C)[C@@H]1CC[C@@H](C)c2cnn(-c3ccccc3)c21
InChIInChI=1S/C17H22N2/c1-12(2)15-10-9-13(3)16-11-18-19(17(15)16)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyQUUFXVHYBIEYPC-HIFRSBDPSA-N
MW254.38 g/mol
LogP4.51
Rot. Bonds2

About (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole

(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole (PubChem CID 852817) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole.

Molecular Properties

Compound Name(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole
PubChem CID852817
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole
SMILESCC(C)[C@@H]1CC[C@@H](C)c2cnn(-c3ccccc3)c21
InChIInChI=1S/C17H22N2/c1-12(2)15-10-9-13(3)16-11-18-19(17(15)16)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15+/m1/s1
InChIKeyQUUFXVHYBIEYPC-HIFRSBDPSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole?
The IUPAC name of (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole (CID 852817) is (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole.
What is the SMILES notation for (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole?
The canonical SMILES for (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole is CC(C)[C@@H]1CC[C@@H](C)c2cnn(-c3ccccc3)c21.
What is the InChIKey of (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole?
The InChIKey is QUUFXVHYBIEYPC-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H22N2/c1-12(2)15-10-9-13(3)16-11-18-19(17(15)16)14-7-5-4-6-8-14/h4-8,11-13,15H,9-10H2,1-3H3/t13-,15+/m1/s1.
What are the key properties of (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole?
(4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole has a molecular weight of 254.38 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4-methyl-1-phenyl-7-propan-2-yl-4,5,6,7-tetrahydroindazole is sourced from PubChem (CID 852817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).