3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol

C14H25N3O2 — CID 65337779

IUPAC3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
SMILESCC(NC1CCCc2c1cnn2CCO)C(C)(C)O
InChIInChI=1S/C14H25N3O2/c1-10(14(2,3)19)16-12-5-4-6-13-11(12)9-15-17(13)7-8-18/h9-10,12,16,18-19H,4-8H2,1-3H3
InChIKeyGTZCBABWFFYIOP-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.00
Rot. Bonds5

About 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol

3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol (PubChem CID 65337779) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
PubChem CID65337779
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol
SMILESCC(NC1CCCc2c1cnn2CCO)C(C)(C)O
InChIInChI=1S/C14H25N3O2/c1-10(14(2,3)19)16-12-5-4-6-13-11(12)9-15-17(13)7-8-18/h9-10,12,16,18-19H,4-8H2,1-3H3
InChIKeyGTZCBABWFFYIOP-UHFFFAOYSA-N
XLogP1.00
TPSA70.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
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
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
2-[4-(1-pyridin-2-ylethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752523
2-[4-[1-(oxolan-3-yl)ethylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 115712163
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
2-[4-(2,2-dimethoxyethylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 55234277
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropanamide
CID 62728115
3-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,2-dimethylpropanamide
CID 63679207
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086
2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 62632545

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol (CID 65337779) is 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol is CC(NC1CCCc2c1cnn2CCO)C(C)(C)O.
What is the InChIKey of 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol?
The InChIKey is GTZCBABWFFYIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-10(14(2,3)19)16-12-5-4-6-13-11(12)9-15-17(13)7-8-18/h9-10,12,16,18-19H,4-8H2,1-3H3.
What are the key properties of 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol?
3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol has a molecular weight of 267.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 65337779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).