trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol

C15H18N2O — CID 164630057

IUPACtrans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1cc(-c2ccccc2)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C15H18N2O/c1-11-10-14(12-6-3-2-4-7-12)17(16-11)13-8-5-9-15(13)18/h2-4,6-7,10,13,15,18H,5,8-9H2,1H3/t13-,15-/m0/s1
InChIKeyPGDDGHIZTXJPFC-ZFWWWQNUSA-N
MW242.32 g/mol
LogP2.94
Rot. Bonds2

About trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 164630057) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID164630057
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Nametrans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1cc(-c2ccccc2)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C15H18N2O/c1-11-10-14(12-6-3-2-4-7-12)17(16-11)13-8-5-9-15(13)18/h2-4,6-7,10,13,15,18H,5,8-9H2,1H3/t13-,15-/m0/s1
InChIKeyPGDDGHIZTXJPFC-ZFWWWQNUSA-N
XLogP2.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.94
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-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol (CID 164630057) is trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol is Cc1cc(-c2ccccc2)n([C@H]2CCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is PGDDGHIZTXJPFC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-10-14(12-6-3-2-4-7-12)17(16-11)13-8-5-9-15(13)18/h2-4,6-7,10,13,15,18H,5,8-9H2,1H3/t13-,15-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 242.32 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(3-methyl-5-phenylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 164630057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).