1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol

C14H17F2N3O2 — CID 141364922

IUPAC1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol
SMILESOC1CN(CCCn2ncc3cc(OC(F)F)ccc32)C1
InChIInChI=1S/C14H17F2N3O2/c15-14(16)21-12-2-3-13-10(6-12)7-17-19(13)5-1-4-18-8-11(20)9-18/h2-3,6-7,11,14,20H,1,4-5,8-9H2
InChIKeyBHGWESOAXOIZOP-UHFFFAOYSA-N
MW297.31 g/mol
LogP1.70
Rot. Bonds6

About 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol

1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol (PubChem CID 141364922) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol
PubChem CID141364922
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol
SMILESOC1CN(CCCn2ncc3cc(OC(F)F)ccc32)C1
InChIInChI=1S/C14H17F2N3O2/c15-14(16)21-12-2-3-13-10(6-12)7-17-19(13)5-1-4-18-8-11(20)9-18/h2-3,6-7,11,14,20H,1,4-5,8-9H2
InChIKeyBHGWESOAXOIZOP-UHFFFAOYSA-N
XLogP1.70
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol?
The IUPAC name of 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol (CID 141364922) is 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol.
What is the SMILES notation for 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol?
The canonical SMILES for 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol is OC1CN(CCCn2ncc3cc(OC(F)F)ccc32)C1.
What is the InChIKey of 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol?
The InChIKey is BHGWESOAXOIZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c15-14(16)21-12-2-3-13-10(6-12)7-17-19(13)5-1-4-18-8-11(20)9-18/h2-3,6-7,11,14,20H,1,4-5,8-9H2.
What are the key properties of 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol?
1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol has a molecular weight of 297.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-(difluoromethoxy)indazol-1-yl]propyl]azetidin-3-ol is sourced from PubChem (CID 141364922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).