6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

C27H32N4O — CID 67637954

IUPAC6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)n1cc(CCC2Cc3c([nH]c4ccc(OCc5ccccc5)cc34)C(N)C2)cn1
InChIInChI=1S/C27H32N4O/c1-18(2)31-16-21(15-29-31)9-8-20-12-24-23-14-22(32-17-19-6-4-3-5-7-19)10-11-26(23)30-27(24)25(28)13-20/h3-7,10-11,14-16,18,20,25,30H,8-9,12-13,17,28H2,1-2H3
InChIKeyZWYQWEMOAWJVAM-UHFFFAOYSA-N
MW428.58 g/mol
LogP5.72
Rot. Bonds7

About 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine

6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (PubChem CID 67637954) has the molecular formula C27H32N4O and a molecular weight of 428.58 g/mol. Its IUPAC name is 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.

Molecular Properties

Compound Name6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
PubChem CID67637954
Molecular FormulaC27H32N4O
Molecular Weight428.58 g/mol
Exact Mass428.26
IUPAC Name6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine
SMILESCC(C)n1cc(CCC2Cc3c([nH]c4ccc(OCc5ccccc5)cc34)C(N)C2)cn1
InChIInChI=1S/C27H32N4O/c1-18(2)31-16-21(15-29-31)9-8-20-12-24-23-14-22(32-17-19-6-4-3-5-7-19)10-11-26(23)30-27(24)25(28)13-20/h3-7,10-11,14-16,18,20,25,30H,8-9,12-13,17,28H2,1-2H3
InChIKeyZWYQWEMOAWJVAM-UHFFFAOYSA-N
XLogP5.72
TPSA68.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137
4-phenylmethoxy-1-propan-2-ylpyrazole
CID 91900757
(1,1-diethyl-6-phenylmethoxy-2,3,4,9-tetrahydrocarbazol-3-yl)methanamine
CID 140998248
3-methyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018514
8-amino-6-propyl-6,7,8,9-tetrahydro-5H-carbazol-3-ol
CID 67638542
13-phenylmethoxy-6-propyl-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraene-4,7-dione
CID 130238466
2-benzyl-9-phenylmethoxy-1,3,4,4a,5,6,11,11a-octahydropyrido[4,3-b]carbazole
CID 162754911
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
6-phenylmethoxy-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3880139
1-(3,5-dimethylphenyl)-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 3282736
(3-fluorophenyl) N-[6-[[2-(1-propan-2-ylpyrazol-4-yl)ethylamino]methyl]-6,7,8,9-tetrahydro-5H-carbazol-3-yl]carbamate
CID 18971918
4-[(3-fluorophenyl)methoxy]-1-propan-2-ylpyrazole
CID 116805220

Frequently Asked Questions

What is the IUPAC name of 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The IUPAC name of 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine (CID 67637954) is 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine.
What is the SMILES notation for 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The canonical SMILES for 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is CC(C)n1cc(CCC2Cc3c([nH]c4ccc(OCc5ccccc5)cc34)C(N)C2)cn1.
What is the InChIKey of 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
The InChIKey is ZWYQWEMOAWJVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O/c1-18(2)31-16-21(15-29-31)9-8-20-12-24-23-14-22(32-17-19-6-4-3-5-7-19)10-11-26(23)30-27(24)25(28)13-20/h3-7,10-11,14-16,18,20,25,30H,8-9,12-13,17,28H2,1-2H3.
What are the key properties of 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine?
6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine has a molecular weight of 428.58 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylmethoxy-3-[2-(1-propan-2-ylpyrazol-4-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazol-1-amine is sourced from PubChem (CID 67637954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).