methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate

C10H17N3O3 — CID 64829565

IUPACmethyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
SMILESCOC(=O)CCNCc1cnn(CCO)c1
InChIInChI=1S/C10H17N3O3/c1-16-10(15)2-3-11-6-9-7-12-13(8-9)4-5-14/h7-8,11,14H,2-6H2,1H3
InChIKeySYMNCPMZBDGGOA-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.47
Rot. Bonds7

About methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate

methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate (PubChem CID 64829565) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
PubChem CID64829565
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Namemethyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate
SMILESCOC(=O)CCNCc1cnn(CCO)c1
InChIInChI=1S/C10H17N3O3/c1-16-10(15)2-3-11-6-9-7-12-13(8-9)4-5-14/h7-8,11,14H,2-6H2,1H3
InChIKeySYMNCPMZBDGGOA-UHFFFAOYSA-N
XLogP-0.47
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]carbamate
CID 107241305
N-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]ethyl]methanesulfonamide
CID 64828582
2-[4-[[2-(2-methoxyphenyl)ethylamino]methyl]pyrazol-1-yl]ethanol
CID 106259621
N-cyclopropyl-4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]butanamide
CID 79393845
2-[4-[(2-phenylethylamino)methyl]pyrazol-1-yl]ethanol
CID 64830530
methyl 3-(pyrimidin-5-ylmethylamino)propanoate
CID 62758953
2-[4-[(3-pyrazol-1-ylpropylamino)methyl]pyrazol-1-yl]ethanol
CID 113412472
2-[4-[[(1-methylpiperidin-4-yl)methylamino]methyl]pyrazol-1-yl]ethanol
CID 64830590
4-[(1-propylpyrazol-4-yl)methylamino]butanamide
CID 103571480
5-[(1-propylpyrazol-4-yl)methylamino]pentanamide
CID 114161780
N-(2-methylpropyl)-3-[(1-propylpyrazol-4-yl)methylamino]propanamide
CID 103571643
methyl 3-[(3-methyltriazol-4-yl)methylamino]propanoate
CID 115978304

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate?
The IUPAC name of methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate (CID 64829565) is methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate.
What is the SMILES notation for methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate?
The canonical SMILES for methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate is COC(=O)CCNCc1cnn(CCO)c1.
What is the InChIKey of methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate?
The InChIKey is SYMNCPMZBDGGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-16-10(15)2-3-11-6-9-7-12-13(8-9)4-5-14/h7-8,11,14H,2-6H2,1H3.
What are the key properties of methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate?
methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate has a molecular weight of 227.26 g/mol, XLogP of -0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]propanoate is sourced from PubChem (CID 64829565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).