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

C17H21N3 — CID 10801801

IUPAC(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
SMILESCCCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C17H21N3/c1-2-7-20-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)20)10-18-19-16/h3-6,10,15,17H,2,7-9,11H2,1H3,(H,18,19)/t15-,17+/m0/s1
InChIKeyPMVIBFCQKIIGBR-DOTOQJQBSA-N
MW267.38 g/mol
LogP2.89
Rot. Bonds2

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

(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine (PubChem CID 10801801) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine.

Molecular Properties

Compound Name(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
PubChem CID10801801
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
SMILESCCCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21
InChIInChI=1S/C17H21N3/c1-2-7-20-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)20)10-18-19-16/h3-6,10,15,17H,2,7-9,11H2,1H3,(H,18,19)/t15-,17+/m0/s1
InChIKeyPMVIBFCQKIIGBR-DOTOQJQBSA-N
XLogP2.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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Related Compounds

Quinpirole
CID 54562
N-(2-(4-Phenylpiperazin-1-yl)ethyl)-N-propyl-4,5,6,7-tetrahydro-1H-indazol-5-amine
CID 24866288
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
CID 1257
1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
4-(1H-indazol-6-yl)-2-methyl-3,4-dihydro-1H-isoquinoline
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-methyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine
CID 10776394
Phenethyl-propyl-(4,5,6,7-tetrahydro-2H-indazol-5-yl)-amine
CID 44316827

Frequently Asked Questions

What is the IUPAC name of (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The IUPAC name of (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine (CID 10801801) is (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine.
What is the SMILES notation for (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The canonical SMILES for (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine is CCCN1Cc2ccccc2[C@@H]2Cc3[nH]ncc3C[C@H]21.
What is the InChIKey of (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
The InChIKey is PMVIBFCQKIIGBR-DOTOQJQBSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-7-20-11-12-5-3-4-6-14(12)15-9-16-13(8-17(15)20)10-18-19-16/h3-6,10,15,17H,2,7-9,11H2,1H3,(H,18,19)/t15-,17+/m0/s1.
What are the key properties of (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine?
(6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine has a molecular weight of 267.38 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR,11aS)-6-propyl-5,6a,7,10,11,11a-hexahydropyrazolo[5,4-b]phenanthridine is sourced from PubChem (CID 10801801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).