1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol

C17H19ClN2O — CID 134373219

IUPAC1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol
SMILESOC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1
InChIInChI=1S/C17H19ClN2O/c18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12/h5-7,11-12,21H,1-4,8-9H2,(H,19,20)
InChIKeyVOBYMIWUTZFUGJ-UHFFFAOYSA-N
MW302.80 g/mol
LogP4.00
Rot. Bonds3

About 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol

1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol (PubChem CID 134373219) has the molecular formula C17H19ClN2O and a molecular weight of 302.80 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol
PubChem CID134373219
Molecular FormulaC17H19ClN2O
Molecular Weight302.80 g/mol
Exact Mass302.12
IUPAC Name1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol
SMILESOC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1
InChIInChI=1S/C17H19ClN2O/c18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12/h5-7,11-12,21H,1-4,8-9H2,(H,19,20)
InChIKeyVOBYMIWUTZFUGJ-UHFFFAOYSA-N
XLogP4.00
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol (CID 134373219) is 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol is OC1(c2cc(Cl)cc3cn[nH]c23)CC(C2CC2)(C2CC2)C1.
What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol?
The InChIKey is VOBYMIWUTZFUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c18-13-5-10-7-19-20-15(10)14(6-13)17(21)8-16(9-17,11-1-2-11)12-3-4-12/h5-7,11-12,21H,1-4,8-9H2,(H,19,20).
What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol?
1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol has a molecular weight of 302.80 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-7-yl)-3,3-dicyclopropylcyclobutan-1-ol is sourced from PubChem (CID 134373219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).