1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride

C12H15ClFN3 — CID 126485700

IUPAC1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride
SMILESCc1ccc2c(cnn2C2CNCC2F)c1.Cl
InChIInChI=1S/C12H14FN3.ClH/c1-8-2-3-11-9(4-8)5-15-16(11)12-7-14-6-10(12)13;/h2-5,10,12,14H,6-7H2,1H3;1H
InChIKeyKWQNXXVLNZDCTC-UHFFFAOYSA-N
MW255.72 g/mol
LogP2.25
Rot. Bonds1

About 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride

1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride (PubChem CID 126485700) has the molecular formula C12H15ClFN3 and a molecular weight of 255.72 g/mol. Its IUPAC name is 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride.

Molecular Properties

Compound Name1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride
PubChem CID126485700
Molecular FormulaC12H15ClFN3
Molecular Weight255.72 g/mol
Exact Mass255.09
IUPAC Name1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride
SMILESCc1ccc2c(cnn2C2CNCC2F)c1.Cl
InChIInChI=1S/C12H14FN3.ClH/c1-8-2-3-11-9(4-8)5-15-16(11)12-7-14-6-10(12)13;/h2-5,10,12,14H,6-7H2,1H3;1H
InChIKeyKWQNXXVLNZDCTC-UHFFFAOYSA-N
XLogP2.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride?
The IUPAC name of 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride (CID 126485700) is 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride.
What is the SMILES notation for 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride?
The canonical SMILES for 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride is Cc1ccc2c(cnn2C2CNCC2F)c1.Cl.
What is the InChIKey of 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride?
The InChIKey is KWQNXXVLNZDCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3.ClH/c1-8-2-3-11-9(4-8)5-15-16(11)12-7-14-6-10(12)13;/h2-5,10,12,14H,6-7H2,1H3;1H.
What are the key properties of 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride?
1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride has a molecular weight of 255.72 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoropyrrolidin-3-yl)-5-methylindazole;hydrochloride is sourced from PubChem (CID 126485700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).