2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol

C10H19N3O3 — CID 107852417

IUPAC2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
SMILESCn1cc(CCNC(CO)(CO)CO)cn1
InChIInChI=1S/C10H19N3O3/c1-13-5-9(4-12-13)2-3-11-10(6-14,7-15)8-16/h4-5,11,14-16H,2-3,6-8H2,1H3
InChIKeyWSXMGAABQVPHHB-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.73
Rot. Bonds7

About 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol

2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol (PubChem CID 107852417) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
PubChem CID107852417
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol
SMILESCn1cc(CCNC(CO)(CO)CO)cn1
InChIInChI=1S/C10H19N3O3/c1-13-5-9(4-12-13)2-3-11-10(6-14,7-15)8-16/h4-5,11,14-16H,2-3,6-8H2,1H3
InChIKeyWSXMGAABQVPHHB-UHFFFAOYSA-N
XLogP-1.73
TPSA90.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 106175780
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
2-[2-(1-methylpyrazol-4-yl)ethylamino]propan-1-ol
CID 103000884
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166
[1-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclopentyl]methanol
CID 103001877
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 80682556
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
3-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 80689060
N-[(3-chlorocyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103015220
dideuterio-(1-methylpyrazol-4-yl)methanol
CID 170523002

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol?
The IUPAC name of 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol (CID 107852417) is 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol.
What is the SMILES notation for 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol?
The canonical SMILES for 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol is Cn1cc(CCNC(CO)(CO)CO)cn1.
What is the InChIKey of 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol?
The InChIKey is WSXMGAABQVPHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-13-5-9(4-12-13)2-3-11-10(6-14,7-15)8-16/h4-5,11,14-16H,2-3,6-8H2,1H3.
What are the key properties of 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol?
2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol has a molecular weight of 229.28 g/mol, XLogP of -1.73, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]propane-1,3-diol is sourced from PubChem (CID 107852417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).