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

C16H29N3O — CID 43752475

IUPAC2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCCCCC(C)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C16H29N3O/c1-3-4-5-7-13(2)18-15-8-6-9-16-14(15)12-17-19(16)10-11-20/h12-13,15,18,20H,3-11H2,1-2H3
InChIKeyQRAZMBCHPNMRTJ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.81
Rot. Bonds8

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

2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (PubChem CID 43752475) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
PubChem CID43752475
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
SMILESCCCCCC(C)NC1CCCc2c1cnn2CCO
InChIInChI=1S/C16H29N3O/c1-3-4-5-7-13(2)18-15-8-6-9-16-14(15)12-17-19(16)10-11-20/h12-13,15,18,20H,3-11H2,1-2H3
InChIKeyQRAZMBCHPNMRTJ-UHFFFAOYSA-N
XLogP2.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-[4-(2-methylpropylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752513
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
4-hydroxy-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pentanamide
CID 79204522
2-[4-[1-(furan-2-yl)propylamino]-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 62632545
2-chloro-N-[1-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 43695835
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
2-[4-(prop-2-ynylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 63953086

Frequently Asked Questions

What is the IUPAC name of 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The IUPAC name of 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol (CID 43752475) is 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The canonical SMILES for 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is CCCCCC(C)NC1CCCc2c1cnn2CCO.
What is the InChIKey of 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
The InChIKey is QRAZMBCHPNMRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-3-4-5-7-13(2)18-15-8-6-9-16-14(15)12-17-19(16)10-11-20/h12-13,15,18,20H,3-11H2,1-2H3.
What are the key properties of 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol?
2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol has a molecular weight of 279.43 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(heptan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol is sourced from PubChem (CID 43752475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).