trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol

C8H12ClN3O — CID 140765955

IUPACtrans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol
SMILESNc1cnn([C@@H]2CCC[C@H]2O)c1Cl
InChIInChI=1S/C8H12ClN3O/c9-8-5(10)4-11-12(8)6-2-1-3-7(6)13/h4,6-7,13H,1-3,10H2/t6-,7-/m1/s1
InChIKeyFQSLPTBXOGKWLC-RNFRBKRXSA-N
MW201.66 g/mol
LogP1.20
Rot. Bonds1

About trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol

trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol (PubChem CID 140765955) has the molecular formula C8H12ClN3O and a molecular weight of 201.66 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol
PubChem CID140765955
Molecular FormulaC8H12ClN3O
Molecular Weight201.66 g/mol
Exact Mass201.07
IUPAC Nametrans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol
SMILESNc1cnn([C@@H]2CCC[C@H]2O)c1Cl
InChIInChI=1S/C8H12ClN3O/c9-8-5(10)4-11-12(8)6-2-1-3-7(6)13/h4,6-7,13H,1-3,10H2/t6-,7-/m1/s1
InChIKeyFQSLPTBXOGKWLC-RNFRBKRXSA-N
XLogP1.20
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.66
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol (CID 140765955) is trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol is Nc1cnn([C@@H]2CCC[C@H]2O)c1Cl.
What is the InChIKey of trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is FQSLPTBXOGKWLC-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H12ClN3O/c9-8-5(10)4-11-12(8)6-2-1-3-7(6)13/h4,6-7,13H,1-3,10H2/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol?
trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 201.66 g/mol, XLogP of 1.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-amino-5-chloropyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 140765955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).