(5-chloro-1-propylindazol-7-yl)methanol

C11H13ClN2O — CID 118251633

IUPAC(5-chloro-1-propylindazol-7-yl)methanol
SMILESCCCn1ncc2cc(Cl)cc(CO)c21
InChIInChI=1S/C11H13ClN2O/c1-2-3-14-11-8(6-13-14)4-10(12)5-9(11)7-15/h4-6,15H,2-3,7H2,1H3
InChIKeyVBJMSBKTOFAYQI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.59
Rot. Bonds3

About (5-chloro-1-propylindazol-7-yl)methanol

(5-chloro-1-propylindazol-7-yl)methanol (PubChem CID 118251633) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (5-chloro-1-propylindazol-7-yl)methanol.

Molecular Properties

Compound Name(5-chloro-1-propylindazol-7-yl)methanol
PubChem CID118251633
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(5-chloro-1-propylindazol-7-yl)methanol
SMILESCCCn1ncc2cc(Cl)cc(CO)c21
InChIInChI=1S/C11H13ClN2O/c1-2-3-14-11-8(6-13-14)4-10(12)5-9(11)7-15/h4-6,15H,2-3,7H2,1H3
InChIKeyVBJMSBKTOFAYQI-UHFFFAOYSA-N
XLogP2.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-propylindazol-7-yl)methanol?
The IUPAC name of (5-chloro-1-propylindazol-7-yl)methanol (CID 118251633) is (5-chloro-1-propylindazol-7-yl)methanol.
What is the SMILES notation for (5-chloro-1-propylindazol-7-yl)methanol?
The canonical SMILES for (5-chloro-1-propylindazol-7-yl)methanol is CCCn1ncc2cc(Cl)cc(CO)c21.
What is the InChIKey of (5-chloro-1-propylindazol-7-yl)methanol?
The InChIKey is VBJMSBKTOFAYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-3-14-11-8(6-13-14)4-10(12)5-9(11)7-15/h4-6,15H,2-3,7H2,1H3.
What are the key properties of (5-chloro-1-propylindazol-7-yl)methanol?
(5-chloro-1-propylindazol-7-yl)methanol has a molecular weight of 224.69 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-propylindazol-7-yl)methanol is sourced from PubChem (CID 118251633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).