[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol

C12H22N2O2 — CID 61483803

IUPAC[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCCCCOCCn1nc(C)c(CO)c1C
InChIInChI=1S/C12H22N2O2/c1-4-5-7-16-8-6-14-11(3)12(9-15)10(2)13-14/h15H,4-9H2,1-3H3
InChIKeyNEDACGPLDIWCHM-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.81
Rot. Bonds7

About [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol

[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol (PubChem CID 61483803) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
PubChem CID61483803
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol
SMILESCCCCOCCn1nc(C)c(CO)c1C
InChIInChI=1S/C12H22N2O2/c1-4-5-7-16-8-6-14-11(3)12(9-15)10(2)13-14/h15H,4-9H2,1-3H3
InChIKeyNEDACGPLDIWCHM-UHFFFAOYSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]ethanamine
CID 61483845
2-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]acetic acid
CID 54956296
N-[[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propan-1-amine
CID 61483888
4-bromo-1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104565657
2-[1-(2-ethoxyethyl)-3,5-dimethylpyrazol-4-yl]ethanol
CID 75505877
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 62730460
N-[[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 106455227
1-[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]-N-ethylethanamine
CID 62731733
N-[2-[3,5-dimethyl-1-(2-propoxyethyl)pyrazol-4-yl]ethyl]cyclopropanamine
CID 106458284
4-(chloromethyl)-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104565540
2-[1-(3-ethoxypropyl)-3,5-dimethylpyrazol-4-yl]-N-methylethanamine
CID 65178167

Frequently Asked Questions

What is the IUPAC name of [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol?
The IUPAC name of [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol (CID 61483803) is [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol?
The canonical SMILES for [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol is CCCCOCCn1nc(C)c(CO)c1C.
What is the InChIKey of [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol?
The InChIKey is NEDACGPLDIWCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-7-16-8-6-14-11(3)12(9-15)10(2)13-14/h15H,4-9H2,1-3H3.
What are the key properties of [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol?
[1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol has a molecular weight of 226.32 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-butoxyethyl)-3,5-dimethylpyrazol-4-yl]methanol is sourced from PubChem (CID 61483803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).