1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol

C25H28N4O — CID 657717

IUPAC1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1
InChIInChI=1S/C25H28N4O/c1-17(2)26-14-19(30)16-28-23-11-7-6-10-20(23)21-12-13-24-22(25(21)28)15-27-29(24)18-8-4-3-5-9-18/h3-11,15,17,19,26,30H,12-14,16H2,1-2H3
InChIKeyCZELXTIDAORWAB-UHFFFAOYSA-N
MW400.53 g/mol
LogP3.95
Rot. Bonds6

About 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol

1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 657717) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID657717
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NCC(O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1
InChIInChI=1S/C25H28N4O/c1-17(2)26-14-19(30)16-28-23-11-7-6-10-20(23)21-12-13-24-22(25(21)28)15-27-29(24)18-8-4-3-5-9-18/h3-11,15,17,19,26,30H,12-14,16H2,1-2H3
InChIKeyCZELXTIDAORWAB-UHFFFAOYSA-N
XLogP3.95
TPSA55.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol with MolForge

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Related Compounds

DC_05
CID 16451230
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Cambridge id 5723280
CID 2864698
1-(9H-carbazol-9-yl)-3-(cyclopentylamino)propan-2-ol
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2-[[1-[1-(4-Propan-2-ylcyclohexyl)piperidin-4-yl]indol-3-yl]methylamino]ethanol
CID 134578518
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CID 443267
1-(3,5-dimethyl-1H-pyrazol-1-yl)-3-(2,3,5-trimethyl-1H-indol-1-yl)propan-2-ol
CID 652327
1-(3,6-diiodo-9H-carbazol-9-yl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propan-2-ol
CID 2859839
1-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-3-(6-methyl-1,2,3,4-tetrahydro-9H-carbazol-9-yl)-2-propanol
CID 2951754
1-(9H-carbazol-9-yl)-3-(cyclohexylamino)propan-2-ol
CID 3124283
1-cyclohexyl-2-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-beta-carboline
CID 16191309
1-(3-(9H-carbazol-9-yl)-2-hydroxypropyl)-2,3,5-trimethyl-1H-pyrazol-2-ium iodide
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Frequently Asked Questions

What is the IUPAC name of 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol (CID 657717) is 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NCC(O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1.
What is the InChIKey of 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CZELXTIDAORWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c1-17(2)26-14-19(30)16-28-23-11-7-6-10-20(23)21-12-13-24-22(25(21)28)15-27-29(24)18-8-4-3-5-9-18/h3-11,15,17,19,26,30H,12-14,16H2,1-2H3.
What are the key properties of 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 400.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 657717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).