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

C16H22N4O — CID 43752523

IUPAC2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(NC1CCCc2c1cnn2CCO)c1ccccn1
InChIInChI=1S/C16H22N4O/c1-12(14-5-2-3-8-17-14)19-15-6-4-7-16-13(15)11-18-20(16)9-10-21/h2-3,5,8,11-12,15,19,21H,4,6-7,9-10H2,1H3
InChIKeyYFAAWHLVFKIYMY-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.00
Rot. Bonds5

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

2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 43752523) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID43752523
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCC(NC1CCCc2c1cnn2CCO)c1ccccn1
InChIInChI=1S/C16H22N4O/c1-12(14-5-2-3-8-17-14)19-15-6-4-7-16-13(15)11-18-20(16)9-10-21/h2-3,5,8,11-12,15,19,21H,4,6-7,9-10H2,1H3
InChIKeyYFAAWHLVFKIYMY-UHFFFAOYSA-N
XLogP2.00
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
CID 65337779
2-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752475
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 115712163
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
N-[(1S)-1-pyridin-2-ylethyl]-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 79484128
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
1-(2-fluorophenyl)-3-[(4S)-1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methylurea
CID 97319979
2-[4-[(5-bromopyrimidin-2-yl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 75370275
2-[4-[(3-aminocyclobutyl)amino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 80560605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 43752523) is 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CC(NC1CCCc2c1cnn2CCO)c1ccccn1.
What is the InChIKey of 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is YFAAWHLVFKIYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12(14-5-2-3-8-17-14)19-15-6-4-7-16-13(15)11-18-20(16)9-10-21/h2-3,5,8,11-12,15,19,21H,4,6-7,9-10H2,1H3.
What are the key properties of 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 286.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 43752523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).