6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane

C12H17ClN2 — CID 177150137

IUPAC6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane
SMILESCC.Clc1cc2c(cc1C1CC1)CNN2
InChIInChI=1S/C10H11ClN2.C2H6/c11-9-4-10-7(5-12-13-10)3-8(9)6-1-2-6;1-2/h3-4,6,12-13H,1-2,5H2;1-2H3
InChIKeyFYVWSVDHTBSGKK-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.67
Rot. Bonds1

About 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane

6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane (PubChem CID 177150137) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane.

Molecular Properties

Compound Name6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane
PubChem CID177150137
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane
SMILESCC.Clc1cc2c(cc1C1CC1)CNN2
InChIInChI=1S/C10H11ClN2.C2H6/c11-9-4-10-7(5-12-13-10)3-8(9)6-1-2-6;1-2/h3-4,6,12-13H,1-2,5H2;1-2H3
InChIKeyFYVWSVDHTBSGKK-UHFFFAOYSA-N
XLogP3.67
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane?
The IUPAC name of 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane (CID 177150137) is 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane.
What is the SMILES notation for 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane?
The canonical SMILES for 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane is CC.Clc1cc2c(cc1C1CC1)CNN2.
What is the InChIKey of 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane?
The InChIKey is FYVWSVDHTBSGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2.C2H6/c11-9-4-10-7(5-12-13-10)3-8(9)6-1-2-6;1-2/h3-4,6,12-13H,1-2,5H2;1-2H3.
What are the key properties of 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane?
6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane has a molecular weight of 224.73 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyclopropyl-2,3-dihydro-1H-indazole;ethane is sourced from PubChem (CID 177150137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).