2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol

C14H25N3O — CID 79067188

IUPAC2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1ccnn1C)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-4-14(5-2,17-10-6-7-11-17)13(18)12-8-9-15-16(12)3/h8-9,13,18H,4-7,10-11H2,1-3H3
InChIKeyZRJNOZOERJQMLR-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.11
Rot. Bonds5

About 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol

2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol (PubChem CID 79067188) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
PubChem CID79067188
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol
SMILESCCC(CC)(C(O)c1ccnn1C)N1CCCC1
InChIInChI=1S/C14H25N3O/c1-4-14(5-2,17-10-6-7-11-17)13(18)12-8-9-15-16(12)3/h8-9,13,18H,4-7,10-11H2,1-3H3
InChIKeyZRJNOZOERJQMLR-UHFFFAOYSA-N
XLogP2.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-1-(2-methylpyrazol-3-yl)-N-propyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79057663
N-ethyl-2-methyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-amine
CID 79056069
2-ethyl-1-(3-methylthiophen-2-yl)-2-pyrrolidin-1-ylbutan-1-ol
CID 79988633
2-ethyl-1-(2-ethylpyrazol-3-yl)-N-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 79068153
2-ethyl-2-[1-(2-methylpyrazol-3-yl)ethylamino]propane-1,3-diol
CID 107093949
3-ethyl-1-(2-methylpyrazol-3-yl)pentan-1-ol
CID 114554038
2-methyl-1-(2-propan-2-ylpyrazol-3-yl)-2-pyrrolidin-1-ylpropan-1-ol
CID 114197587
1-(2-methylpyrazol-3-yl)hexan-1-ol
CID 63960741
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
2-ethyl-1-(2-fluoro-3-methoxyphenyl)-2-pyrrolidin-1-ylbutan-1-ol
CID 82792077
1-(4-bromothiophen-2-yl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 79067815

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The IUPAC name of 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol (CID 79067188) is 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol.
What is the SMILES notation for 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The canonical SMILES for 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol is CCC(CC)(C(O)c1ccnn1C)N1CCCC1.
What is the InChIKey of 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
The InChIKey is ZRJNOZOERJQMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-4-14(5-2,17-10-6-7-11-17)13(18)12-8-9-15-16(12)3/h8-9,13,18H,4-7,10-11H2,1-3H3.
What are the key properties of 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol?
2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methylpyrazol-3-yl)-2-pyrrolidin-1-ylbutan-1-ol is sourced from PubChem (CID 79067188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).