4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide

C14H23N3O3 — CID 79204522

IUPAC4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
SMILESCC(O)CCC(=O)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C14H23N3O3/c1-10(19)5-6-14(20)16-12-3-2-4-13-11(12)9-15-17(13)7-8-18/h9-10,12,18-19H,2-8H2,1H3,(H,16,20)
InChIKeyRPZBPKWXFSNCJN-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.53
Rot. Bonds6

About 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide

4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide (PubChem CID 79204522) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
PubChem CID79204522
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
SMILESCC(O)CCC(=O)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C14H23N3O3/c1-10(19)5-6-14(20)16-12-3-2-4-13-11(12)9-15-17(13)7-8-18/h9-10,12,18-19H,2-8H2,1H3,(H,16,20)
InChIKeyRPZBPKWXFSNCJN-UHFFFAOYSA-N
XLogP0.53
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(prop-2-ynylamino)acetamide
CID 79286729
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
1-[(4R)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-[(1R)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97089859
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 63679207
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779
(2S)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-2-carboxamide
CID 61156494
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475
(2R)-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]piperidine-2-carboxamide
CID 104912794
N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrrolidine-3-carboxamide
CID 63005680

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide?
The IUPAC name of 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide (CID 79204522) is 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide.
What is the SMILES notation for 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide?
The canonical SMILES for 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide is CC(O)CCC(=O)NC1CCCc2c1cnn2CCO.
What is the InChIKey of 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide?
The InChIKey is RPZBPKWXFSNCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(19)5-6-14(20)16-12-3-2-4-13-11(12)9-15-17(13)7-8-18/h9-10,12,18-19H,2-8H2,1H3,(H,16,20).
What are the key properties of 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide?
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide has a molecular weight of 281.36 g/mol, XLogP of 0.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide is sourced from PubChem (CID 79204522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).