1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol

C22H26N3O+ — CID 3342595

IUPAC1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol
SMILESCCn1c(C)cc(C)[n+]1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H26N3O/c1-4-24-16(2)13-17(3)25(24)15-18(26)14-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-13,18,26H,4,14-15H2,1-3H3/q+1
InChIKeyIPGPSPQOELSHEP-UHFFFAOYSA-N
MW348.47 g/mol
LogP3.58
Rot. Bonds5

About 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol

1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol (PubChem CID 3342595) has the molecular formula C22H26N3O+ and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol.

Molecular Properties

Compound Name1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol
PubChem CID3342595
Molecular FormulaC22H26N3O+
Molecular Weight348.47 g/mol
Exact Mass348.21
IUPAC Name1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol
SMILESCCn1c(C)cc(C)[n+]1CC(O)Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C22H26N3O/c1-4-24-16(2)13-17(3)25(24)15-18(26)14-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-13,18,26H,4,14-15H2,1-3H3/q+1
InChIKeyIPGPSPQOELSHEP-UHFFFAOYSA-N
XLogP3.58
TPSA33.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol?
The IUPAC name of 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol (CID 3342595) is 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol.
What is the SMILES notation for 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol?
The canonical SMILES for 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol is CCn1c(C)cc(C)[n+]1CC(O)Cn1c2ccccc2c2ccccc21.
What is the InChIKey of 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol?
The InChIKey is IPGPSPQOELSHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N3O/c1-4-24-16(2)13-17(3)25(24)15-18(26)14-23-21-11-7-5-9-19(21)20-10-6-8-12-22(20)23/h5-13,18,26H,4,14-15H2,1-3H3/q+1.
What are the key properties of 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol?
1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol has a molecular weight of 348.47 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-3-(1-ethyl-3,5-dimethylpyrazol-2-ium-2-yl)propan-2-ol is sourced from PubChem (CID 3342595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).