3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol

C14H19N3O — CID 80562974

IUPAC3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
SMILESCn1nc(CC2(O)CCC(N)C2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-17-13-5-3-2-4-11(13)12(16-17)9-14(18)7-6-10(15)8-14/h2-5,10,18H,6-9,15H2,1H3
InChIKeyNEMHZCTUYQEYEK-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.36
Rot. Bonds2

About 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol

3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol (PubChem CID 80562974) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
PubChem CID80562974
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol
SMILESCn1nc(CC2(O)CCC(N)C2)c2ccccc21
InChIInChI=1S/C14H19N3O/c1-17-13-5-3-2-4-11(13)12(16-17)9-14(18)7-6-10(15)8-14/h2-5,10,18H,6-9,15H2,1H3
InChIKeyNEMHZCTUYQEYEK-UHFFFAOYSA-N
XLogP1.36
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
The IUPAC name of 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol (CID 80562974) is 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol is Cn1nc(CC2(O)CCC(N)C2)c2ccccc21.
What is the InChIKey of 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
The InChIKey is NEMHZCTUYQEYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13-5-3-2-4-11(13)12(16-17)9-14(18)7-6-10(15)8-14/h2-5,10,18H,6-9,15H2,1H3.
What are the key properties of 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol?
3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol has a molecular weight of 245.33 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(1-methylindazol-3-yl)methyl]cyclopentan-1-ol is sourced from PubChem (CID 80562974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).