2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol

C12H23N3O3 — CID 114010486

IUPAC2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(C)nn(C)c1OC
InChIInChI=1S/C12H23N3O3/c1-5-12(7-16,8-17)13-6-10-9(2)14-15(3)11(10)18-4/h13,16-17H,5-8H2,1-4H3
InChIKeyKXXWEYRWVQOQOV-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.04
Rot. Bonds7

About 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol

2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol (PubChem CID 114010486) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
PubChem CID114010486
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
SMILESCCC(CO)(CO)NCc1c(C)nn(C)c1OC
InChIInChI=1S/C12H23N3O3/c1-5-12(7-16,8-17)13-6-10-9(2)14-15(3)11(10)18-4/h13,16-17H,5-8H2,1-4H3
InChIKeyKXXWEYRWVQOQOV-UHFFFAOYSA-N
XLogP-0.04
TPSA79.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(5-methoxy-1,3-dimethyl-1H-pyrazol-4-yl)methanamine
CID 28965606
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]methanesulfonamide
CID 51104849
N-[3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propyl]-N-methylmethanesulfonamide
CID 51105058
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbutanamide
CID 51105361
(3S,4R)-4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]oxolan-3-ol
CID 126803311
2-[4,5-Dimethyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]ethanol
CID 170618633
N-[[1,3-dimethyl-5-(2,2,2-trifluoroethoxy)pyrazol-4-yl]methyl]ethanamine
CID 84102791
2,2,3,3-tetrafluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 99834464
4,4,4-trifluoro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]butan-2-amine
CID 104705500
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210900
1,1-Difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-2-ol
CID 113250645
2,2-Difluoro-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propan-1-ol
CID 113462744

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
The IUPAC name of 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol (CID 114010486) is 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol.
What is the SMILES notation for 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
The canonical SMILES for 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol is CCC(CO)(CO)NCc1c(C)nn(C)c1OC.
What is the InChIKey of 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
The InChIKey is KXXWEYRWVQOQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-5-12(7-16,8-17)13-6-10-9(2)14-15(3)11(10)18-4/h13,16-17H,5-8H2,1-4H3.
What are the key properties of 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol?
2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol has a molecular weight of 257.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol is sourced from PubChem (CID 114010486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).