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

C18H24N2O — CID 6544462

IUPAC(4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCOc1ccccc1-c1n[nH]c2c1[C@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C18H24N2O/c1-11(2)13-10-9-12(3)16-17(13)19-20-18(16)14-7-5-6-8-15(14)21-4/h5-8,11-13H,9-10H2,1-4H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyDOCULXUTTBJQHV-OLZOCXBDSA-N
MW284.40 g/mol
LogP4.72
Rot. Bonds3

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

(4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (PubChem CID 6544462) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.

Molecular Properties

Compound Name(4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
PubChem CID6544462
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole
SMILESCOc1ccccc1-c1n[nH]c2c1[C@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C18H24N2O/c1-11(2)13-10-9-12(3)16-17(13)19-20-18(16)14-7-5-6-8-15(14)21-4/h5-8,11-13H,9-10H2,1-4H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyDOCULXUTTBJQHV-OLZOCXBDSA-N
XLogP4.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The IUPAC name of (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole (CID 6544462) is (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole.
What is the SMILES notation for (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The canonical SMILES for (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is COc1ccccc1-c1n[nH]c2c1[C@H](C)CC[C@H]2C(C)C.
What is the InChIKey of (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
The InChIKey is DOCULXUTTBJQHV-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H24N2O/c1-11(2)13-10-9-12(3)16-17(13)19-20-18(16)14-7-5-6-8-15(14)21-4/h5-8,11-13H,9-10H2,1-4H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole?
(4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole has a molecular weight of 284.40 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,7S)-3-(2-methoxyphenyl)-4-methyl-7-propan-2-yl-4,5,6,7-tetrahydro-1H-indazole is sourced from PubChem (CID 6544462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).