(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

C17H22N2 — CID 6544456

IUPAC(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C17H22N2/c1-11(2)14-10-9-12(3)15-16(18-19-17(14)15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyCLTINXZUQWHNMS-OCCSQVGLSA-N
MW254.38 g/mol
LogP4.71
Rot. Bonds2

About (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole

(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 6544456) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID6544456
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccccc3)n[nH]c21
InChIInChI=1S/C17H22N2/c1-11(2)14-10-9-12(3)15-16(18-19-17(14)15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,19)/t12-,14+/m1/s1
InChIKeyCLTINXZUQWHNMS-OCCSQVGLSA-N
XLogP4.71
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 18774
1H-Pyrazole, 3,5-diphenyl-
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CID 11506914
5-benzyl-3-tert-butyl-1H-pyrazole
CID 691260
3-methyl-1H-indazole
CID 820804
2-(3-methyl-1H-pyrazol-5-yl)aniline
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5-(4-fluorophenyl)-3-phenyl-1H-pyrazole
CID 11557742
3,5-bis(4-methylphenyl)-1H-pyrazole
CID 16105481
3-phenyl-1H-indazole
CID 300385
3-tert-butyl-5-phenyl-1H-pyrazole
CID 603994
3-Benzyl-5-phenyl-1H-pyrazole
CID 283965
2-(3-Phenyl-1H-pyrazol-5-YL)aniline
CID 54852070

Frequently Asked Questions

What is the IUPAC name of (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 6544456) is (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccccc3)n[nH]c21.
What is the InChIKey of (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is CLTINXZUQWHNMS-OCCSQVGLSA-N. The full InChI is InChI=1S/C17H22N2/c1-11(2)14-10-9-12(3)15-16(18-19-17(14)15)13-7-5-4-6-8-13/h4-8,11-12,14H,9-10H2,1-3H3,(H,18,19)/t12-,14+/m1/s1.
What are the key properties of (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
(4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 254.38 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-4-methyl-3-phenyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 6544456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).