2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol

C11H20N2O3 — CID 114633767

IUPAC2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
SMILESCCn1ncc(OC)c1C(C)(O)CCOC
InChIInChI=1S/C11H20N2O3/c1-5-13-10(9(16-4)8-12-13)11(2,14)6-7-15-3/h8,14H,5-7H2,1-4H3
InChIKeyJRESCGAEIMARPQ-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.16
Rot. Bonds6

About 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol (PubChem CID 114633767) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol.

Molecular Properties

Compound Name2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
PubChem CID114633767
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol
SMILESCCn1ncc(OC)c1C(C)(O)CCOC
InChIInChI=1S/C11H20N2O3/c1-5-13-10(9(16-4)8-12-13)11(2,14)6-7-15-3/h8,14H,5-7H2,1-4H3
InChIKeyJRESCGAEIMARPQ-UHFFFAOYSA-N
XLogP1.16
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)butan-2-ol
CID 114665909
2-(1-ethyl-4-methoxypyrazol-5-yl)propan-2-ol
CID 114633553
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-(4-methoxyphenyl)propan-2-ol
CID 114633955
4-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114665922
1-amino-2-(1-ethyl-4-methoxypyrazol-5-yl)pentan-2-ol
CID 114637770
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,3-dimethylbutan-1-amine
CID 114667004
1-cyclopropyl-1-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-ol
CID 114636126
2-(4-bromo-1-ethylpyrazol-5-yl)-1-methoxypropan-2-ol
CID 114633818
2-(1-ethyl-4-methoxypyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636352
1-amino-2-(4-methoxy-1-propylpyrazol-5-yl)butan-2-ol
CID 114637758
2-amino-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methylpropan-1-one
CID 114668718

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol?
The IUPAC name of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol (CID 114633767) is 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol.
What is the SMILES notation for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol?
The canonical SMILES for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol is CCn1ncc(OC)c1C(C)(O)CCOC.
What is the InChIKey of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol?
The InChIKey is JRESCGAEIMARPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-5-13-10(9(16-4)8-12-13)11(2,14)6-7-15-3/h8,14H,5-7H2,1-4H3.
What are the key properties of 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol?
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol has a molecular weight of 228.29 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methoxybutan-2-ol is sourced from PubChem (CID 114633767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).