3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol

C15H19N3O — CID 146091697

IUPAC3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol
SMILESCC(NC1CCCc2cn[nH]c21)c1cccc(O)c1
InChIInChI=1S/C15H19N3O/c1-10(11-4-2-6-13(19)8-11)17-14-7-3-5-12-9-16-18-15(12)14/h2,4,6,8-10,14,17,19H,3,5,7H2,1H3,(H,16,18)
InChIKeyJKPMJIGBEQDDHI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.84
Rot. Bonds3

About 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol

3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol (PubChem CID 146091697) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol.

Molecular Properties

Compound Name3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol
PubChem CID146091697
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol
SMILESCC(NC1CCCc2cn[nH]c21)c1cccc(O)c1
InChIInChI=1S/C15H19N3O/c1-10(11-4-2-6-13(19)8-11)17-14-7-3-5-12-9-16-18-15(12)14/h2,4,6,8-10,14,17,19H,3,5,7H2,1H3,(H,16,18)
InChIKeyJKPMJIGBEQDDHI-UHFFFAOYSA-N
XLogP2.84
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol?
The IUPAC name of 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol (CID 146091697) is 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol.
What is the SMILES notation for 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol?
The canonical SMILES for 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol is CC(NC1CCCc2cn[nH]c21)c1cccc(O)c1.
What is the InChIKey of 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol?
The InChIKey is JKPMJIGBEQDDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(11-4-2-6-13(19)8-11)17-14-7-3-5-12-9-16-18-15(12)14/h2,4,6,8-10,14,17,19H,3,5,7H2,1H3,(H,16,18).
What are the key properties of 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol?
3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol has a molecular weight of 257.34 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,5,6,7-tetrahydro-1H-indazol-7-ylamino)ethyl]phenol is sourced from PubChem (CID 146091697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).