2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol

C13H24ClN3O — CID 106256469

IUPAC2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1c(Cl)c(C)nn1C
InChIInChI=1S/C13H24ClN3O/c1-5-13(6-2,9-18)8-15-7-11-12(14)10(3)16-17(11)4/h15,18H,5-9H2,1-4H3
InChIKeyASBXMRCJZVIWSW-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.27
Rot. Bonds7

About 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol

2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol (PubChem CID 106256469) has the molecular formula C13H24ClN3O and a molecular weight of 273.81 g/mol. Its IUPAC name is 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
PubChem CID106256469
Molecular FormulaC13H24ClN3O
Molecular Weight273.81 g/mol
Exact Mass273.16
IUPAC Name2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol
SMILESCCC(CC)(CO)CNCc1c(Cl)c(C)nn1C
InChIInChI=1S/C13H24ClN3O/c1-5-13(6-2,9-18)8-15-7-11-12(14)10(3)16-17(11)4/h15,18H,5-9H2,1-4H3
InChIKeyASBXMRCJZVIWSW-UHFFFAOYSA-N
XLogP2.27
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,2-dimethylbutan-1-amine
CID 106140381
3-[[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]methyl]-3-ethylpentan-1-ol
CID 111498743
4-chloro-5-[2-(chloromethyl)-2-ethylbutyl]-1,3-dimethylpyrazole
CID 66034043
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-3-methylpentan-1-ol
CID 106175751
3-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methylamino]-2-methylpropane-1,2-diol
CID 66186709
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 113406034
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-1,1-dimethylhydrazine
CID 83014675
ethyl 5-[[[2-ethyl-2-(hydroxymethyl)butyl]amino]methyl]-1-methylpyrazole-4-carboxylate
CID 106256100
methyl 2-chloro-3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]propanoate
CID 103491649
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79449846
2-ethyl-2-[[(2,3,6-trichlorophenyl)methylamino]methyl]butan-1-ol
CID 106252162
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941939

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The IUPAC name of 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol (CID 106256469) is 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The canonical SMILES for 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol is CCC(CC)(CO)CNCc1c(Cl)c(C)nn1C.
What is the InChIKey of 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol?
The InChIKey is ASBXMRCJZVIWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN3O/c1-5-13(6-2,9-18)8-15-7-11-12(14)10(3)16-17(11)4/h15,18H,5-9H2,1-4H3.
What are the key properties of 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol?
2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol has a molecular weight of 273.81 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-chloro-1,3-dimethylpyrazol-5-yl)methylamino]methyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 106256469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).