6-chloro-4-pyrrolidin-1-yl-1H-indazole

C11H12ClN3 — CID 138559858

IUPAC6-chloro-4-pyrrolidin-1-yl-1H-indazole
SMILESClc1cc(N2CCCC2)c2cn[nH]c2c1
InChIInChI=1S/C11H12ClN3/c12-8-5-10-9(7-13-14-10)11(6-8)15-3-1-2-4-15/h5-7H,1-4H2,(H,13,14)
InChIKeyXEHQIHCMQMPQOE-UHFFFAOYSA-N
MW221.69 g/mol
LogP2.82
Rot. Bonds1

About 6-chloro-4-pyrrolidin-1-yl-1H-indazole

6-chloro-4-pyrrolidin-1-yl-1H-indazole (PubChem CID 138559858) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 6-chloro-4-pyrrolidin-1-yl-1H-indazole.

Molecular Properties

Compound Name6-chloro-4-pyrrolidin-1-yl-1H-indazole
PubChem CID138559858
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name6-chloro-4-pyrrolidin-1-yl-1H-indazole
SMILESClc1cc(N2CCCC2)c2cn[nH]c2c1
InChIInChI=1S/C11H12ClN3/c12-8-5-10-9(7-13-14-10)11(6-8)15-3-1-2-4-15/h5-7H,1-4H2,(H,13,14)
InChIKeyXEHQIHCMQMPQOE-UHFFFAOYSA-N
XLogP2.82
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-pyrrolidin-1-yl-1H-indazole?
The IUPAC name of 6-chloro-4-pyrrolidin-1-yl-1H-indazole (CID 138559858) is 6-chloro-4-pyrrolidin-1-yl-1H-indazole.
What is the SMILES notation for 6-chloro-4-pyrrolidin-1-yl-1H-indazole?
The canonical SMILES for 6-chloro-4-pyrrolidin-1-yl-1H-indazole is Clc1cc(N2CCCC2)c2cn[nH]c2c1.
What is the InChIKey of 6-chloro-4-pyrrolidin-1-yl-1H-indazole?
The InChIKey is XEHQIHCMQMPQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-8-5-10-9(7-13-14-10)11(6-8)15-3-1-2-4-15/h5-7H,1-4H2,(H,13,14).
What are the key properties of 6-chloro-4-pyrrolidin-1-yl-1H-indazole?
6-chloro-4-pyrrolidin-1-yl-1H-indazole has a molecular weight of 221.69 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-pyrrolidin-1-yl-1H-indazole is sourced from PubChem (CID 138559858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).