1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol

C11H18N2O — CID 105102312

IUPAC1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol
SMILESC=CCCC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H18N2O/c1-5-6-7-10(14)11-8(2)12-13(4)9(11)3/h5,10,14H,1,6-7H2,2-4H3
InChIKeyYGOGWQOZPJPIHN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.04
Rot. Bonds4

About 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol

1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol (PubChem CID 105102312) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol.

Molecular Properties

Compound Name1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol
PubChem CID105102312
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol
SMILESC=CCCC(O)c1c(C)nn(C)c1C
InChIInChI=1S/C11H18N2O/c1-5-6-7-10(14)11-8(2)12-13(4)9(11)3/h5,10,14H,1,6-7H2,2-4H3
InChIKeyYGOGWQOZPJPIHN-UHFFFAOYSA-N
XLogP2.04
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3,5-trimethylpyrazol-4-yl)decan-1-ol
CID 105084964
(1R)-2-bromo-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 83001320
3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)butan-1-ol
CID 105076282
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105106613
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105103448
cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105105459
2-(4-iodophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105101093
2-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105076709
2-(3,4-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105088082
2-(1,3-thiazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105123343
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105107249
1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-1-one
CID 105104374

Frequently Asked Questions

What is the IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol?
The IUPAC name of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol (CID 105102312) is 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol.
What is the SMILES notation for 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol?
The canonical SMILES for 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol is C=CCCC(O)c1c(C)nn(C)c1C.
What is the InChIKey of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol?
The InChIKey is YGOGWQOZPJPIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-5-6-7-10(14)11-8(2)12-13(4)9(11)3/h5,10,14H,1,6-7H2,2-4H3.
What are the key properties of 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol?
1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol has a molecular weight of 194.28 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3,5-trimethylpyrazol-4-yl)pent-4-en-1-ol is sourced from PubChem (CID 105102312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).