2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

C13H23N3O — CID 43752513

IUPAC2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)CNC1CCCc2c1cnn2CCO
InChIInChI=1S/C13H23N3O/c1-10(2)8-14-12-4-3-5-13-11(12)9-15-16(13)6-7-17/h9-10,12,14,17H,3-8H2,1-2H3
InChIKeyFPLRRKOKEMVPJU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.50
Rot. Bonds5

About 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol

2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 43752513) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID43752513
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(C)CNC1CCCc2c1cnn2CCO
InChIInChI=1S/C13H23N3O/c1-10(2)8-14-12-4-3-5-13-11(12)9-15-16(13)6-7-17/h9-10,12,14,17H,3-8H2,1-2H3
InChIKeyFPLRRKOKEMVPJU-UHFFFAOYSA-N
XLogP1.50
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
2-[4-(hexylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752487
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475
2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 115712163
2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752523
2-[4-[(3-ethylimidazol-4-yl)methylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 66132580

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 43752513) is 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(C)CNC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is FPLRRKOKEMVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)8-14-12-4-3-5-13-11(12)9-15-16(13)6-7-17/h9-10,12,14,17H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 43752513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).