4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide

C18H22N4O2 — CID 128727683

IUPAC4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-15-9-17(12-4-2-1-3-5-12)22(11-15)18(24)20-14-7-6-13-10-19-21-16(13)8-14/h1-5,10,14-15,17,23H,6-9,11H2,(H,19,21)(H,20,24)
InChIKeyXTKLQYHVHVTEQL-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.78
Rot. Bonds2

About 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide

4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide (PubChem CID 128727683) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide
PubChem CID128727683
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide
SMILESO=C(NC1CCc2cn[nH]c2C1)N1CC(O)CC1c1ccccc1
InChIInChI=1S/C18H22N4O2/c23-15-9-17(12-4-2-1-3-5-12)22(11-15)18(24)20-14-7-6-13-10-19-21-16(13)8-14/h1-5,10,14-15,17,23H,6-9,11H2,(H,19,21)(H,20,24)
InChIKeyXTKLQYHVHVTEQL-UHFFFAOYSA-N
XLogP1.78
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide (CID 128727683) is 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide is O=C(NC1CCc2cn[nH]c2C1)N1CC(O)CC1c1ccccc1.
What is the InChIKey of 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide?
The InChIKey is XTKLQYHVHVTEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-15-9-17(12-4-2-1-3-5-12)22(11-15)18(24)20-14-7-6-13-10-19-21-16(13)8-14/h1-5,10,14-15,17,23H,6-9,11H2,(H,19,21)(H,20,24).
What are the key properties of 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide?
4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-phenyl-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128727683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).