1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol

C13H17ClN4O — CID 166981949

IUPAC1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1N1CCC(O)C1
InChIInChI=1S/C13H17ClN4O/c1-7(15)9-4-11(14)10-5-16-17-12(10)13(9)18-3-2-8(19)6-18/h4-5,7-8,19H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyVNQZOPYCQJOHMR-UHFFFAOYSA-N
MW280.76 g/mol
LogP1.81
Rot. Bonds2

About 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol

1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol (PubChem CID 166981949) has the molecular formula C13H17ClN4O and a molecular weight of 280.76 g/mol. Its IUPAC name is 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol
PubChem CID166981949
Molecular FormulaC13H17ClN4O
Molecular Weight280.76 g/mol
Exact Mass280.11
IUPAC Name1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol
SMILESCC(N)c1cc(Cl)c2cn[nH]c2c1N1CCC(O)C1
InChIInChI=1S/C13H17ClN4O/c1-7(15)9-4-11(14)10-5-16-17-12(10)13(9)18-3-2-8(19)6-18/h4-5,7-8,19H,2-3,6,15H2,1H3,(H,16,17)
InChIKeyVNQZOPYCQJOHMR-UHFFFAOYSA-N
XLogP1.81
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.76
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol (CID 166981949) is 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol is CC(N)c1cc(Cl)c2cn[nH]c2c1N1CCC(O)C1.
What is the InChIKey of 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol?
The InChIKey is VNQZOPYCQJOHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O/c1-7(15)9-4-11(14)10-5-16-17-12(10)13(9)18-3-2-8(19)6-18/h4-5,7-8,19H,2-3,6,15H2,1H3,(H,16,17).
What are the key properties of 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol?
1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol has a molecular weight of 280.76 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-aminoethyl)-4-chloro-1H-indazol-7-yl]pyrrolidin-3-ol is sourced from PubChem (CID 166981949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).