(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol

C10H15FN2O — CID 105451483

IUPAC(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCCC2(C)F
InChIInChI=1S/C10H15FN2O/c1-10(11)5-3-4-8-9(10)7(6-14)12-13(8)2/h14H,3-6H2,1-2H3
InChIKeyOQWRRGWJMDJHCS-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.43
Rot. Bonds1

About (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol

(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol (PubChem CID 105451483) has the molecular formula C10H15FN2O and a molecular weight of 198.24 g/mol. Its IUPAC name is (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol.

Molecular Properties

Compound Name(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol
PubChem CID105451483
Molecular FormulaC10H15FN2O
Molecular Weight198.24 g/mol
Exact Mass198.12
IUPAC Name(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol
SMILESCn1nc(CO)c2c1CCCC2(C)F
InChIInChI=1S/C10H15FN2O/c1-10(11)5-3-4-8-9(10)7(6-14)12-13(8)2/h14H,3-6H2,1-2H3
InChIKeyOQWRRGWJMDJHCS-UHFFFAOYSA-N
XLogP1.43
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol?
The IUPAC name of (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol (CID 105451483) is (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol.
What is the SMILES notation for (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol?
The canonical SMILES for (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol is Cn1nc(CO)c2c1CCCC2(C)F.
What is the InChIKey of (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol?
The InChIKey is OQWRRGWJMDJHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O/c1-10(11)5-3-4-8-9(10)7(6-14)12-13(8)2/h14H,3-6H2,1-2H3.
What are the key properties of (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol?
(4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol has a molecular weight of 198.24 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1,4-dimethyl-6,7-dihydro-5H-indazol-3-yl)methanol is sourced from PubChem (CID 105451483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).