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

C12H20N2O — CID 105110499

IUPAC2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
SMILESC=C(C)C(O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C12H20N2O/c1-8(2)12(15)7-6-11-9(3)13-14(5)10(11)4/h12,15H,1,6-7H2,2-5H3
InChIKeyRDBRKSLFNLAZFA-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.91
Rot. Bonds4

About 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol

2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol (PubChem CID 105110499) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol.

Molecular Properties

Compound Name2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
PubChem CID105110499
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol
SMILESC=C(C)C(O)CCc1c(C)nn(C)c1C
InChIInChI=1S/C12H20N2O/c1-8(2)12(15)7-6-11-9(3)13-14(5)10(11)4/h12,15H,1,6-7H2,2-5H3
InChIKeyRDBRKSLFNLAZFA-UHFFFAOYSA-N
XLogP1.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.91
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)heptane-3,4-diol
CID 83930169
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105108326
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)but-3-en-2-amine
CID 105163612
1-(4-bromophenyl)-4-(1,3,5-trimethylpyrazol-4-yl)butan-2-ol
CID 105077459
1-(1,3,5-trimethylpyrazol-4-yl)heptan-3-ylhydrazine
CID 105293836
1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-ylhydrazine
CID 105281932
1-(3-ethylcyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 105104488
1-(2,3-dihydrofuran-5-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-ol
CID 102653938
2-(1,3,5-trimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 50988502
4-(3-fluoropropyl)-1,3,5-trimethylpyrazole
CID 83930090
N,5-dimethyl-1-(1,3,5-trimethylpyrazol-4-yl)hex-5-en-2-amine
CID 105182478
N-ethyl-4-methyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-3-amine
CID 105078315

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol?
The IUPAC name of 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol (CID 105110499) is 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol.
What is the SMILES notation for 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol?
The canonical SMILES for 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol is C=C(C)C(O)CCc1c(C)nn(C)c1C.
What is the InChIKey of 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol?
The InChIKey is RDBRKSLFNLAZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)12(15)7-6-11-9(3)13-14(5)10(11)4/h12,15H,1,6-7H2,2-5H3.
What are the key properties of 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol?
2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol has a molecular weight of 208.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(1,3,5-trimethylpyrazol-4-yl)pent-1-en-3-ol is sourced from PubChem (CID 105110499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).