4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol

C15H16N2O2 — CID 61494796

IUPAC4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C15H16N2O2/c18-12-2-1-4-14-5-7-15(8-6-14)19-13-11-17-10-3-9-16-17/h3,5-10,18H,2,11-13H2
InChIKeyPAADGFDPCNSENI-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.70
Rot. Bonds5

About 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol

4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol (PubChem CID 61494796) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
PubChem CID61494796
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
SMILESOCCC#Cc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C15H16N2O2/c18-12-2-1-4-14-5-7-15(8-6-14)19-13-11-17-10-3-9-16-17/h3,5-10,18H,2,11-13H2
InChIKeyPAADGFDPCNSENI-UHFFFAOYSA-N
XLogP1.70
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[3-fluoro-5-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol
CID 81326130
4-(4-propoxyphenyl)but-3-yn-1-ol
CID 60800610
4-[4-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 103012792
1-[2-(4-bromophenoxy)ethyl]pyrazole
CID 46739423
4-[4-[2-(4,5-dimethylimidazol-1-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 62351286
4-[4-(2-ethoxyethoxy)phenyl]but-3-yn-1-ol
CID 60801474
[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methanol
CID 79800375
1-[2-[4-(4-hydroxybut-1-ynyl)phenoxy]ethyl]pyrrolidin-3-ol
CID 62943590
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
2-[2-[4-(3-hydroxyprop-1-ynyl)phenoxy]ethyl]pyridazin-3-one
CID 62849793
3-(2-pyrazol-1-ylethoxy)pyridine
CID 112558686
4-[4-[2-(2,2-dimethylpyrrolidin-1-yl)ethoxy]phenyl]but-3-yn-1-ol
CID 63217419

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol (CID 61494796) is 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol is OCCC#Cc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol?
The InChIKey is PAADGFDPCNSENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-12-2-1-4-14-5-7-15(8-6-14)19-13-11-17-10-3-9-16-17/h3,5-10,18H,2,11-13H2.
What are the key properties of 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol?
4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol has a molecular weight of 256.31 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-pyrazol-1-ylethoxy)phenyl]but-3-yn-1-ol is sourced from PubChem (CID 61494796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).