1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol

C30H29N3O2 — CID 4243726

IUPAC1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol
SMILESOC(COC1CN(c2ccccc2)N(c2ccccc2)C1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H29N3O2/c34-25(19-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31)22-35-26-20-32(23-11-3-1-4-12-23)33(21-26)24-13-5-2-6-14-24/h1-18,25-26,34H,19-22H2
InChIKeyVOBDVRPBWFJAMX-UHFFFAOYSA-N
MW463.58 g/mol
LogP5.48
Rot. Bonds7

About 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol

1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol (PubChem CID 4243726) has the molecular formula C30H29N3O2 and a molecular weight of 463.58 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol
PubChem CID4243726
Molecular FormulaC30H29N3O2
Molecular Weight463.58 g/mol
Exact Mass463.23
IUPAC Name1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol
SMILESOC(COC1CN(c2ccccc2)N(c2ccccc2)C1)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C30H29N3O2/c34-25(19-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31)22-35-26-20-32(23-11-3-1-4-12-23)33(21-26)24-13-5-2-6-14-24/h1-18,25-26,34H,19-22H2
InChIKeyVOBDVRPBWFJAMX-UHFFFAOYSA-N
XLogP5.48
TPSA40.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.58
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol (CID 4243726) is 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol is OC(COC1CN(c2ccccc2)N(c2ccccc2)C1)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol?
The InChIKey is VOBDVRPBWFJAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N3O2/c34-25(19-31-29-17-9-7-15-27(29)28-16-8-10-18-30(28)31)22-35-26-20-32(23-11-3-1-4-12-23)33(21-26)24-13-5-2-6-14-24/h1-18,25-26,34H,19-22H2.
What are the key properties of 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol?
1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol has a molecular weight of 463.58 g/mol, XLogP of 5.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(1,2-diphenylpyrazolidin-4-yl)oxypropan-2-ol is sourced from PubChem (CID 4243726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).