2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol

C10H14N2O — CID 123431617

IUPAC2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol
SMILESC=CC(=CC)c1cnn(CCO)c1
InChIInChI=1S/C10H14N2O/c1-3-9(4-2)10-7-11-12(8-10)5-6-13/h3-4,7-8,13H,1,5-6H2,2H3
InChIKeySPRRBZWFJHGPQM-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.46
Rot. Bonds4

About 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol

2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol (PubChem CID 123431617) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol
PubChem CID123431617
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol
SMILESC=CC(=CC)c1cnn(CCO)c1
InChIInChI=1S/C10H14N2O/c1-3-9(4-2)10-7-11-12(8-10)5-6-13/h3-4,7-8,13H,1,5-6H2,2H3
InChIKeySPRRBZWFJHGPQM-UHFFFAOYSA-N
XLogP1.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(2E,4E)-5-fluorohexa-2,4-dien-3-yl]-1-methylpyrazole
CID 118951977
4-(1-Fluorobut-2-en-2-yl)-1-methylpyrazole
CID 123461946
4-[5-(Difluoromethoxy)hexa-2,4-dien-3-yl]-1-methylpyrazole
CID 123878340
ethane;1,1,1-trifluoro-2-methyl-3-[4-[(2E)-penta-2,4-dien-2-yl]pyrazol-1-yl]propan-2-ol
CID 142510623
4-[(2E,4Z,6Z)-6,7-difluorohepta-2,4,6-trien-2-yl]-1-methylpyrazole
CID 156099693
4-[(2E,4E)-5-fluoro-6-methylhepta-2,4,6-trien-3-yl]-1-(2-methoxyethyl)pyrazole
CID 156794361
3-[4-(1-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]-1,1,1-trifluoropropan-2-ol
CID 56706978
2-[4-(1-Fluoroethyl)pyrazol-1-yl]ethanol
CID 84731445
2-[4-(2-Fluoropropan-2-yl)pyrazol-1-yl]ethanol
CID 84731982
1,1,1-trifluoro-2-methyl-3-[4-[(2E)-penta-2,4-dien-2-yl]pyrazol-1-yl]propan-2-ol
CID 142510624
4-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrazole
CID 145324663
3-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]prop-2-en-1-ol
CID 165631421

Frequently Asked Questions

What is the IUPAC name of 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol?
The IUPAC name of 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol (CID 123431617) is 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol.
What is the SMILES notation for 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol?
The canonical SMILES for 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol is C=CC(=CC)c1cnn(CCO)c1.
What is the InChIKey of 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol?
The InChIKey is SPRRBZWFJHGPQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-9(4-2)10-7-11-12(8-10)5-6-13/h3-4,7-8,13H,1,5-6H2,2H3.
What are the key properties of 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol?
2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol has a molecular weight of 178.23 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-penta-1,3-dien-3-ylpyrazol-1-yl)ethanol is sourced from PubChem (CID 123431617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).