2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol

C13H19FN2O — CID 143749682

IUPAC2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1[nH]nc2c1CCC=C2F
InChIInChI=1S/C13H19FN2O/c1-2-4-9(8-17)7-12-10-5-3-6-11(14)13(10)16-15-12/h6,9,17H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyLQTMDKCJWWEAAY-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.62
Rot. Bonds5

About 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol

2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol (PubChem CID 143749682) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol.

Molecular Properties

Compound Name2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol
PubChem CID143749682
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol
SMILESCCCC(CO)Cc1[nH]nc2c1CCC=C2F
InChIInChI=1S/C13H19FN2O/c1-2-4-9(8-17)7-12-10-5-3-6-11(14)13(10)16-15-12/h6,9,17H,2-5,7-8H2,1H3,(H,15,16)
InChIKeyLQTMDKCJWWEAAY-UHFFFAOYSA-N
XLogP2.62
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol?
The IUPAC name of 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol (CID 143749682) is 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol.
What is the SMILES notation for 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol?
The canonical SMILES for 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol is CCCC(CO)Cc1[nH]nc2c1CCC=C2F.
What is the InChIKey of 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol?
The InChIKey is LQTMDKCJWWEAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-4-9(8-17)7-12-10-5-3-6-11(14)13(10)16-15-12/h6,9,17H,2-5,7-8H2,1H3,(H,15,16).
What are the key properties of 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol?
2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol has a molecular weight of 238.31 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-fluoro-4,5-dihydro-2H-indazol-3-yl)methyl]pentan-1-ol is sourced from PubChem (CID 143749682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).