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

C10H16N2O — CID 102735056

IUPACtrans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1cc(C)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C10H16N2O/c1-7-6-8(2)12(11-7)9-4-3-5-10(9)13/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyHDKWKDXEBFQOHD-UWVGGRQHSA-N
MW180.25 g/mol
LogP1.59
Rot. Bonds1

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

trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 102735056) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID102735056
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Nametrans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol
SMILESCc1cc(C)n([C@H]2CCC[C@@H]2O)n1
InChIInChI=1S/C10H16N2O/c1-7-6-8(2)12(11-7)9-4-3-5-10(9)13/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1
InChIKeyHDKWKDXEBFQOHD-UWVGGRQHSA-N
XLogP1.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-Dimethyl-1H-pyrazol-1-yl)ethan-1-ol
CID 259665
1,3-Bis(3,5-dimethylpyrazol-1-yl)-2-propanol
CID 12603688
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
1-[3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 122633557
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1,2-diol
CID 122633563
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 122633606
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-3-fluoropropan-2-ol
CID 131071192
2-Amino-4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 138654945
Ethane;1-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]pyrrolidin-1-yl]propan-2-ol
CID 144862609
3-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 176218179
3-[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]cyclobutan-1-ol
CID 176218441
trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclohexan-1-ol
CID 932118

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol (CID 102735056) is trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol is Cc1cc(C)n([C@H]2CCC[C@@H]2O)n1.
What is the InChIKey of trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is HDKWKDXEBFQOHD-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-6-8(2)12(11-7)9-4-3-5-10(9)13/h6,9-10,13H,3-5H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 180.25 g/mol, XLogP of 1.59, 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-(3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 102735056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).