5-chloro-3-cyclopropyl-4-ethyl-2H-indazole

C12H13ClN2 — CID 155061237

IUPAC5-chloro-3-cyclopropyl-4-ethyl-2H-indazole
SMILESCCc1c(Cl)ccc2n[nH]c(C3CC3)c12
InChIInChI=1S/C12H13ClN2/c1-2-8-9(13)5-6-10-11(8)12(15-14-10)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyNNPSTNTVCMOTJT-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.66
Rot. Bonds2

About 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole

5-chloro-3-cyclopropyl-4-ethyl-2H-indazole (PubChem CID 155061237) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-4-ethyl-2H-indazole
PubChem CID155061237
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name5-chloro-3-cyclopropyl-4-ethyl-2H-indazole
SMILESCCc1c(Cl)ccc2n[nH]c(C3CC3)c12
InChIInChI=1S/C12H13ClN2/c1-2-8-9(13)5-6-10-11(8)12(15-14-10)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15)
InChIKeyNNPSTNTVCMOTJT-UHFFFAOYSA-N
XLogP3.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole?
The IUPAC name of 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole (CID 155061237) is 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole.
What is the SMILES notation for 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole?
The canonical SMILES for 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole is CCc1c(Cl)ccc2n[nH]c(C3CC3)c12.
What is the InChIKey of 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole?
The InChIKey is NNPSTNTVCMOTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c1-2-8-9(13)5-6-10-11(8)12(15-14-10)7-3-4-7/h5-7H,2-4H2,1H3,(H,14,15).
What are the key properties of 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole?
5-chloro-3-cyclopropyl-4-ethyl-2H-indazole has a molecular weight of 220.70 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-4-ethyl-2H-indazole is sourced from PubChem (CID 155061237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).