(1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol

C10H16N2O — CID 94575873

IUPAC(1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol
SMILESC[C@H](O)c1cnn(C2CCCC2)c1
InChIInChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1
InChIKeyTUZCKTQECDPISK-QMMMGPOBSA-N
MW180.25 g/mol
LogP2.05
Rot. Bonds2

About (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol

(1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol (PubChem CID 94575873) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol
PubChem CID94575873
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol
SMILESC[C@H](O)c1cnn(C2CCCC2)c1
InChIInChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1
InChIKeyTUZCKTQECDPISK-QMMMGPOBSA-N
XLogP2.05
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol?
The IUPAC name of (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol (CID 94575873) is (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol.
What is the SMILES notation for (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol?
The canonical SMILES for (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol is C[C@H](O)c1cnn(C2CCCC2)c1.
What is the InChIKey of (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol?
The InChIKey is TUZCKTQECDPISK-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(13)9-6-11-12(7-9)10-4-2-3-5-10/h6-8,10,13H,2-5H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol?
(1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-cyclopentylpyrazol-4-yl)ethanol is sourced from PubChem (CID 94575873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).