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

C11H16N2O — CID 103572625

IUPAC1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cnn(CCC)c1
InChIInChI=1S/C11H16N2O/c1-3-5-6-11(14)10-8-12-13(9-10)7-4-2/h1,8-9,11,14H,4-7H2,2H3
InChIKeyQQYAMSYVAIYLLQ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.74
Rot. Bonds5

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

1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol (PubChem CID 103572625) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol.

Molecular Properties

Compound Name1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
PubChem CID103572625
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol
SMILESC#CCCC(O)c1cnn(CCC)c1
InChIInChI=1S/C11H16N2O/c1-3-5-6-11(14)10-8-12-13(9-10)7-4-2/h1,8-9,11,14H,4-7H2,2H3
InChIKeyQQYAMSYVAIYLLQ-UHFFFAOYSA-N
XLogP1.74
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.74
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

3-cyclopropyl-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 106590646
2-methylsulfonyl-1-(1-propylpyrazol-4-yl)ethanol
CID 115601037
3-(4-methylphenyl)-1-(1-propylpyrazol-4-yl)propan-1-ol
CID 105080738
2-(4-ethylphenyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 103572594
1-(1-phenylpyrazol-4-yl)pent-4-yn-1-ol
CID 63895964
1-but-3-ynyl-4-propan-2-ylpyrazole
CID 88570779
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
3,4,4-trimethyl-1-(1-propylpyrazol-4-yl)pentan-1-ol
CID 114981667
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
2-ethyl-1-(1-propylpyrazol-4-yl)butan-1-ol
CID 63895086
butyl 4-hydroxy-4-(1-propylpyrazol-4-yl)butanoate
CID 103572850

Frequently Asked Questions

What is the IUPAC name of 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol?
The IUPAC name of 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol (CID 103572625) is 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol.
What is the SMILES notation for 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol?
The canonical SMILES for 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol is C#CCCC(O)c1cnn(CCC)c1.
What is the InChIKey of 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol?
The InChIKey is QQYAMSYVAIYLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-3-5-6-11(14)10-8-12-13(9-10)7-4-2/h1,8-9,11,14H,4-7H2,2H3.
What are the key properties of 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol?
1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propylpyrazol-4-yl)pent-4-yn-1-ol is sourced from PubChem (CID 103572625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).