2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol

C11H21N3O — CID 81418710

IUPAC2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cn[nH]c1
InChIInChI=1S/C11H21N3O/c1-3-11(4-2,9-15)8-12-5-10-6-13-14-7-10/h6-7,12,15H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyZGNQXZCVTBVDNL-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.30
Rot. Bonds7

About 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol

2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol (PubChem CID 81418710) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
PubChem CID81418710
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNCc1cn[nH]c1
InChIInChI=1S/C11H21N3O/c1-3-11(4-2,9-15)8-12-5-10-6-13-14-7-10/h6-7,12,15H,3-5,8-9H2,1-2H3,(H,13,14)
InChIKeyZGNQXZCVTBVDNL-UHFFFAOYSA-N
XLogP1.30
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol (CID 81418710) is 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol is CCC(CC)(CO)CNCc1cn[nH]c1.
What is the InChIKey of 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
The InChIKey is ZGNQXZCVTBVDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-3-11(4-2,9-15)8-12-5-10-6-13-14-7-10/h6-7,12,15H,3-5,8-9H2,1-2H3,(H,13,14).
What are the key properties of 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol?
2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 1.30, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(1H-pyrazol-4-ylmethylamino)methyl]butan-1-ol is sourced from PubChem (CID 81418710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).