2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

C12H23N3O3 — CID 107852272

IUPAC2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCc1cc(CNC(CO)(CO)CO)n(CC)n1
InChIInChI=1S/C12H23N3O3/c1-3-10-5-11(15(4-2)14-10)6-13-12(7-16,8-17)9-18/h5,13,16-18H,3-4,6-9H2,1-2H3
InChIKeyRHRMDMCQUOEVQG-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.73
Rot. Bonds8

About 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol

2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (PubChem CID 107852272) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.

Molecular Properties

Compound Name2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
PubChem CID107852272
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
SMILESCCc1cc(CNC(CO)(CO)CO)n(CC)n1
InChIInChI=1S/C12H23N3O3/c1-3-10-5-11(15(4-2)14-10)6-13-12(7-16,8-17)9-18/h5,13,16-18H,3-4,6-9H2,1-2H3
InChIKeyRHRMDMCQUOEVQG-UHFFFAOYSA-N
XLogP-0.73
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1,3-diethylpyrazol-5-yl)methyl]-2-methylpropane-1,3-diol
CID 79450356
N-[(1,3-diethylpyrazol-5-yl)methyl]piperidin-1-amine
CID 83013960
2-[1-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclopropyl]ethanol
CID 114756258
1-[(1,3-diethylpyrazol-5-yl)methylamino]-2,4-dimethylpentan-2-ol
CID 66171847
N-[(1,3-diethylpyrazol-5-yl)methyl]-3-iodopropan-1-amine
CID 114503610
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
[4-[(1,3-diethylpyrazol-5-yl)methylamino]oxan-4-yl]methanol
CID 106297418
2-[(1,3-diethylpyrazol-5-yl)methylamino]oxyacetamide
CID 112673626
4-bromo-N-[(1,3-diethylpyrazol-5-yl)methyl]butan-1-amine
CID 106844918
N-[[1-[(1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]-2-methylpropan-2-amine
CID 66026910
2-ethyl-2-[(2-ethylpyrazol-3-yl)methylamino]butan-1-ol
CID 115762417
1-(1,3-diethylpyrazol-5-yl)-3-ethylpentane-2,3-diol
CID 103449476

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The IUPAC name of 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol (CID 107852272) is 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol.
What is the SMILES notation for 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The canonical SMILES for 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is CCc1cc(CNC(CO)(CO)CO)n(CC)n1.
What is the InChIKey of 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
The InChIKey is RHRMDMCQUOEVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-3-10-5-11(15(4-2)14-10)6-13-12(7-16,8-17)9-18/h5,13,16-18H,3-4,6-9H2,1-2H3.
What are the key properties of 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol?
2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol has a molecular weight of 257.33 g/mol, XLogP of -0.73, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diethylpyrazol-5-yl)methylamino]-2-(hydroxymethyl)propane-1,3-diol is sourced from PubChem (CID 107852272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).