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

C25H28N4O — CID 1070501

IUPAC(2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](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/t19-/m1/s1
InChIKeyCZELXTIDAORWAB-LJQANCHMSA-N
MW400.53 g/mol
LogP3.95
Rot. Bonds6

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

(2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol (PubChem CID 1070501) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
PubChem CID1070501
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol
SMILESCC(C)NC[C@@H](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/t19-/m1/s1
InChIKeyCZELXTIDAORWAB-LJQANCHMSA-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

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol (CID 1070501) is (2R)-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 (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol is CC(C)NC[C@@H](O)Cn1c2c(c3ccccc31)CCc1c-2cnn1-c1ccccc1.
What is the InChIKey of (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CZELXTIDAORWAB-LJQANCHMSA-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/t19-/m1/s1.
What are the key properties of (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol?
(2R)-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 (2R)-1-(3-phenyl-4,5-dihydropyrazolo[4,5-a]carbazol-10-yl)-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 1070501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).