1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol

C14H14N2O — CID 63895964

IUPAC1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H14N2O/c1-2-3-9-14(17)12-10-15-16(11-12)13-7-5-4-6-8-13/h1,4-8,10-11,14,17H,3,9H2
InChIKeyUJYVYGHBIIOEII-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.32
Rot. Bonds4

About 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol

1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol (PubChem CID 63895964) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
PubChem CID63895964
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H14N2O/c1-2-3-9-14(17)12-10-15-16(11-12)13-7-5-4-6-8-13/h1,4-8,10-11,14,17H,3,9H2
InChIKeyUJYVYGHBIIOEII-UHFFFAOYSA-N
XLogP2.32
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(1S)-1-phenylpent-4-yn-1-ol
CID 174532036
4-methoxy-4-methyl-1-(1-phenylpyrazol-4-yl)pentan-1-ol
CID 103028464
1-(1-phenylpyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103210161
2-(2-methylphenyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089136
2-(5-bromothiophen-2-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150483
2-(oxan-4-yl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 65150583
2-[hydroxy-(1-phenylpyrazol-4-yl)methyl]pentanenitrile
CID 79412762
N-[1-(1-phenylpyrazol-4-yl)ethyl]hex-1-yn-3-amine
CID 106227178
cyclohexyl-(1-phenylpyrazol-4-yl)methanol
CID 61088953
1-pyridin-3-ylpent-4-yn-1-ol
CID 15085517
2-(2-bicyclo[2.2.1]heptanyl)-1-(1-phenylpyrazol-4-yl)ethanol
CID 61089139

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol (CID 63895964) is 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol is C#CCCC(O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol?
The InChIKey is UJYVYGHBIIOEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-3-9-14(17)12-10-15-16(11-12)13-7-5-4-6-8-13/h1,4-8,10-11,14,17H,3,9H2.
What are the key properties of 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol?
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol has a molecular weight of 226.28 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol is sourced from PubChem (CID 63895964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).