(4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole

C15H20N2O — CID 71190835

IUPAC(4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole
SMILESCCC1C=Cc2[nH]nc(C3=CCOCC3)c2[C@@H]1C
InChIInChI=1S/C15H20N2O/c1-3-11-4-5-13-14(10(11)2)15(17-16-13)12-6-8-18-9-7-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,17)/t10-,11?/m1/s1
InChIKeyIVJOCBOQRVQRSF-NFJWQWPMSA-N
MW244.34 g/mol
LogP3.37
Rot. Bonds2

About (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole

(4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole (PubChem CID 71190835) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole.

Molecular Properties

Compound Name(4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole
PubChem CID71190835
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole
SMILESCCC1C=Cc2[nH]nc(C3=CCOCC3)c2[C@@H]1C
InChIInChI=1S/C15H20N2O/c1-3-11-4-5-13-14(10(11)2)15(17-16-13)12-6-8-18-9-7-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,17)/t10-,11?/m1/s1
InChIKeyIVJOCBOQRVQRSF-NFJWQWPMSA-N
XLogP3.37
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole?
The IUPAC name of (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole (CID 71190835) is (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole.
What is the SMILES notation for (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole?
The canonical SMILES for (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole is CCC1C=Cc2[nH]nc(C3=CCOCC3)c2[C@@H]1C.
What is the InChIKey of (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole?
The InChIKey is IVJOCBOQRVQRSF-NFJWQWPMSA-N. The full InChI is InChI=1S/C15H20N2O/c1-3-11-4-5-13-14(10(11)2)15(17-16-13)12-6-8-18-9-7-12/h4-6,10-11H,3,7-9H2,1-2H3,(H,16,17)/t10-,11?/m1/s1.
What are the key properties of (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole?
(4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole has a molecular weight of 244.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(3,6-dihydro-2H-pyran-4-yl)-5-ethyl-4-methyl-4,5-dihydro-1H-indazole is sourced from PubChem (CID 71190835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).