methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

C21H21N3O — CID 159066402

IUPACmethane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESC.COc1ccc2[nH]c3c(c2c1)CCc1c(-c2ccccc2)n[nH]c1-3
InChIInChI=1S/C20H17N3O.CH4/c1-24-13-7-10-17-16(11-13)14-8-9-15-18(12-5-3-2-4-6-12)22-23-20(15)19(14)21-17;/h2-7,10-11,21H,8-9H2,1H3,(H,22,23);1H4
InChIKeyJZCJDALXXLOTCI-UHFFFAOYSA-N
MW331.42 g/mol
LogP4.97
Rot. Bonds2

About methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole

methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (PubChem CID 159066402) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.

Molecular Properties

Compound Namemethane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
PubChem CID159066402
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Namemethane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
SMILESC.COc1ccc2[nH]c3c(c2c1)CCc1c(-c2ccccc2)n[nH]c1-3
InChIInChI=1S/C20H17N3O.CH4/c1-24-13-7-10-17-16(11-13)14-8-9-15-18(12-5-3-2-4-6-12)22-23-20(15)19(14)21-17;/h2-7,10-11,21H,8-9H2,1H3,(H,22,23);1H4
InChIKeyJZCJDALXXLOTCI-UHFFFAOYSA-N
XLogP4.97
TPSA53.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-6,11-dihydro-5H-benzo[a]carbazol-4-ol
CID 121005504
CID 131885395
CID 131885395
6-methoxy-1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indole;hydrochloride
CID 135534458
2-methoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 12673419
1-(5-methoxy-2-phenyl-1H-indol-3-yl)ethanamine
CID 82024001
6-methoxy-1,2-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 102446924
2-methoxy-6-phenyl-11H-indolo[3,2-c]quinoline
CID 122216052
5-methoxy-2-methyl-3-phenyl-1H-indole
CID 11564934
2-(5-methoxy-2-phenyl-1H-indol-3-yl)acetic acid
CID 3597167
(2Z)-2-(6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-ylidene)-2-phenylacetamide
CID 24852332
2-(6-methoxy-4,9-dihydro-3H-pyrido[3,4-b]indol-1-yl)acetamide
CID 136594970
3-methoxy-8-methyl-6,11-dihydro-5H-benzo[a]carbazole
CID 54511080

Frequently Asked Questions

What is the IUPAC name of methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The IUPAC name of methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole (CID 159066402) is methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole.
What is the SMILES notation for methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The canonical SMILES for methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is C.COc1ccc2[nH]c3c(c2c1)CCc1c(-c2ccccc2)n[nH]c1-3.
What is the InChIKey of methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
The InChIKey is JZCJDALXXLOTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O.CH4/c1-24-13-7-10-17-16(11-13)14-8-9-15-18(12-5-3-2-4-6-12)22-23-20(15)19(14)21-17;/h2-7,10-11,21H,8-9H2,1H3,(H,22,23);1H4.
What are the key properties of methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole?
methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole has a molecular weight of 331.42 g/mol, XLogP of 4.97, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;7-methoxy-3-phenyl-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole is sourced from PubChem (CID 159066402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).