trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol

C9H13ClN2O — CID 102735193

IUPACtrans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1c(Cl)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H13ClN2O/c1-6-7(10)5-11-12(6)8-3-2-4-9(8)13/h5,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyWXDIZAKBKSOOSJ-IUCAKERBSA-N
MW200.67 g/mol
LogP1.93
Rot. Bonds1

About trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 102735193) has the molecular formula C9H13ClN2O and a molecular weight of 200.67 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID102735193
Molecular FormulaC9H13ClN2O
Molecular Weight200.67 g/mol
Exact Mass200.07
IUPAC Nametrans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1c(Cl)cnn1[C@H]1CCC[C@@H]1O
InChIInChI=1S/C9H13ClN2O/c1-6-7(10)5-11-12(6)8-3-2-4-9(8)13/h5,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1
InChIKeyWXDIZAKBKSOOSJ-IUCAKERBSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol (CID 102735193) is trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol is Cc1c(Cl)cnn1[C@H]1CCC[C@@H]1O.
What is the InChIKey of trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is WXDIZAKBKSOOSJ-IUCAKERBSA-N. The full InChI is InChI=1S/C9H13ClN2O/c1-6-7(10)5-11-12(6)8-3-2-4-9(8)13/h5,8-9,13H,2-4H2,1H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 200.67 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-chloro-5-methylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102735193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).