(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol

C10H14N2O — CID 51136228

IUPAC(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol
SMILESCc1n[nH]c(C)c1[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C10H14N2O/c1-6-10(7(2)12-11-6)8-3-4-9(13)5-8/h3-4,8-9,13H,5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyGQAULXNKFCLCAG-DTWKUNHWSA-N
MW178.23 g/mol
LogP1.43
Rot. Bonds1

About (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol

(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol (PubChem CID 51136228) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol
PubChem CID51136228
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol
SMILESCc1n[nH]c(C)c1[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C10H14N2O/c1-6-10(7(2)12-11-6)8-3-4-9(13)5-8/h3-4,8-9,13H,5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1
InChIKeyGQAULXNKFCLCAG-DTWKUNHWSA-N
XLogP1.43
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol (CID 51136228) is (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol is Cc1n[nH]c(C)c1[C@H]1C=C[C@@H](O)C1.
What is the InChIKey of (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol?
The InChIKey is GQAULXNKFCLCAG-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-10(7(2)12-11-6)8-3-4-9(13)5-8/h3-4,8-9,13H,5H2,1-2H3,(H,11,12)/t8-,9+/m0/s1.
What are the key properties of (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol?
(1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol has a molecular weight of 178.23 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-(3,5-dimethyl-1H-pyrazol-4-yl)cyclopent-2-en-1-ol is sourced from PubChem (CID 51136228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).