(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine

C15H17N3 — CID 10776394

IUPAC(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
SMILESCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C15H17N3/c1-18-9-10-4-2-3-5-12(10)13-7-14-11(6-15(13)18)8-16-17-14/h2-5,8,13,15H,6-7,9H2,1H3,(H,16,17)/t13-,15+/m0/s1
InChIKeyNLOUPIMTFXNZQW-DZGCQCFKSA-N
MW239.32 g/mol
LogP2.11
Rot. Bonds

About (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine

(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine (PubChem CID 10776394) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine.

Molecular Properties

Compound Name(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
PubChem CID10776394
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
SMILESCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C15H17N3/c1-18-9-10-4-2-3-5-12(10)13-7-14-11(6-15(13)18)8-16-17-14/h2-5,8,13,15H,6-7,9H2,1H3,(H,16,17)/t13-,15+/m0/s1
InChIKeyNLOUPIMTFXNZQW-DZGCQCFKSA-N
XLogP2.11
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine with MolForge

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Related Compounds

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CID 54562
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2-[(3-phenyl-1H-pyrazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 2812597
5-Propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[3,4-g]quinoline
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CID 11687579
(8aR)-5-propyl-1,4,4a,6,7,8,8a,9-octahydropyrazolo[5,4-g]quinoline
CID 24867528
4-(1H-indazol-5-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 68995479
(6aR,11aS)-6,6a,7,10,11,11a-hexahydro-5H-pyrazolo[5,4-b]phenanthridine
CID 10537192
(6aR,11aS)-6-prop-2-enyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10659359
(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
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Frequently Asked Questions

What is the IUPAC name of (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The IUPAC name of (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine (CID 10776394) is (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine.
What is the SMILES notation for (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The canonical SMILES for (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine is CN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21.
What is the InChIKey of (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The InChIKey is NLOUPIMTFXNZQW-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H17N3/c1-18-9-10-4-2-3-5-12(10)13-7-14-11(6-15(13)18)8-16-17-14/h2-5,8,13,15H,6-7,9H2,1H3,(H,16,17)/t13-,15+/m0/s1.
What are the key properties of (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
(6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine has a molecular weight of 239.32 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aS)-6-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine is sourced from PubChem (CID 10776394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).