(1,3-diethyl-5-methoxypyrazol-4-yl)methanol

C9H16N2O2 — CID 117124459

IUPAC(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
SMILESCCc1nn(CC)c(OC)c1CO
InChIInChI=1S/C9H16N2O2/c1-4-8-7(6-12)9(13-3)11(5-2)10-8/h12H,4-6H2,1-3H3
InChIKeyLLTHDWQMSCLJPU-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.97
Rot. Bonds4

About (1,3-diethyl-5-methoxypyrazol-4-yl)methanol

(1,3-diethyl-5-methoxypyrazol-4-yl)methanol (PubChem CID 117124459) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (1,3-diethyl-5-methoxypyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
PubChem CID117124459
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(1,3-diethyl-5-methoxypyrazol-4-yl)methanol
SMILESCCc1nn(CC)c(OC)c1CO
InChIInChI=1S/C9H16N2O2/c1-4-8-7(6-12)9(13-3)11(5-2)10-8/h12H,4-6H2,1-3H3
InChIKeyLLTHDWQMSCLJPU-UHFFFAOYSA-N
XLogP0.97
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(2-bromo-5-methoxyphenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82700758
5-tert-butyl-1,3,4-triethylpyrazole
CID 58720054
[3,5-diethyl-1-[(4-ethylphenyl)methyl]pyrazol-4-yl]methanol
CID 82697742
[3,5-diethyl-1-(3,3,3-trifluoropropyl)pyrazol-4-yl]methanol
CID 82696973
(1-ethyl-5-methyltriazol-4-yl)methanol
CID 82207210
(5-chloro-1-ethyl-3-methylpyrazol-4-yl)methanol
CID 61265708
[3,5-diethyl-1-(2-ethylhexyl)pyrazol-4-yl]methanol
CID 82697059
[1-[(2-bromophenyl)methyl]-3,5-diethylpyrazol-4-yl]methanol
CID 82696869
N-[(1,3,5-triethylpyrazol-4-yl)methyl]propan-2-amine
CID 82698359
[1-ethyl-5-(hydroxymethyl)pyrazol-3-yl]-methoxymethanol
CID 135258564
[5-chloro-1-[(3-chlorophenyl)methyl]-3-ethylpyrazol-4-yl]methanol
CID 55172991
1-ethyl-3-methoxy-4,5-dimethylpyrazole
CID 142138593

Frequently Asked Questions

What is the IUPAC name of (1,3-diethyl-5-methoxypyrazol-4-yl)methanol?
The IUPAC name of (1,3-diethyl-5-methoxypyrazol-4-yl)methanol (CID 117124459) is (1,3-diethyl-5-methoxypyrazol-4-yl)methanol.
What is the SMILES notation for (1,3-diethyl-5-methoxypyrazol-4-yl)methanol?
The canonical SMILES for (1,3-diethyl-5-methoxypyrazol-4-yl)methanol is CCc1nn(CC)c(OC)c1CO.
What is the InChIKey of (1,3-diethyl-5-methoxypyrazol-4-yl)methanol?
The InChIKey is LLTHDWQMSCLJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-4-8-7(6-12)9(13-3)11(5-2)10-8/h12H,4-6H2,1-3H3.
What are the key properties of (1,3-diethyl-5-methoxypyrazol-4-yl)methanol?
(1,3-diethyl-5-methoxypyrazol-4-yl)methanol has a molecular weight of 184.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diethyl-5-methoxypyrazol-4-yl)methanol is sourced from PubChem (CID 117124459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).