2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol

C16H23N3O — CID 81412463

IUPAC2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H23N3O/c1-3-16(4-2,13-20)12-17-14-7-5-8-15(11-14)19-10-6-9-18-19/h5-11,17,20H,3-4,12-13H2,1-2H3
InChIKeyLKRGRSJQRIPZFZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.08
Rot. Bonds7

About 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol

2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol (PubChem CID 81412463) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
PubChem CID81412463
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol
SMILESCCC(CC)(CO)CNc1cccc(-n2cccn2)c1
InChIInChI=1S/C16H23N3O/c1-3-16(4-2,13-20)12-17-14-7-5-8-15(11-14)19-10-6-9-18-19/h5-11,17,20H,3-4,12-13H2,1-2H3
InChIKeyLKRGRSJQRIPZFZ-UHFFFAOYSA-N
XLogP3.08
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]imidazolidin-2-one
CID 81401096
2-[(3-chloro-2-pyrazol-1-ylanilino)methyl]-2-ethylbutan-1-ol
CID 81400366
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
2-ethyl-2-[(3-ethylanilino)methyl]butan-1-ol
CID 81411805
[1-[(3-pyrazol-1-ylanilino)methyl]cyclohexyl]methanol
CID 81400862
3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]benzamide
CID 81411204
2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886
ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
2-ethyl-2-[(quinolin-6-ylamino)methyl]butan-1-ol
CID 81418945
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol?
The IUPAC name of 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol (CID 81412463) is 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol.
What is the SMILES notation for 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol?
The canonical SMILES for 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol is CCC(CC)(CO)CNc1cccc(-n2cccn2)c1.
What is the InChIKey of 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol?
The InChIKey is LKRGRSJQRIPZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-16(4-2,13-20)12-17-14-7-5-8-15(11-14)19-10-6-9-18-19/h5-11,17,20H,3-4,12-13H2,1-2H3.
What are the key properties of 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol?
2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol has a molecular weight of 273.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(3-pyrazol-1-ylanilino)methyl]butan-1-ol is sourced from PubChem (CID 81412463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).