methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate

C12H14N4O2 — CID 43756904

IUPACmethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C12H14N4O2/c1-18-11(17)8-14-6-10-7-15-16-12(10)9-3-2-4-13-5-9/h2-5,7,14H,6,8H2,1H3,(H,15,16)
InChIKeyKOADIEMKPIGMPM-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.73
Rot. Bonds5

About methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate

methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate (PubChem CID 43756904) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
PubChem CID43756904
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Namemethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate
SMILESCOC(=O)CNCc1cn[nH]c1-c1cccnc1
InChIInChI=1S/C12H14N4O2/c1-18-11(17)8-14-6-10-7-15-16-12(10)9-3-2-4-13-5-9/h2-5,7,14H,6,8H2,1H3,(H,15,16)
InChIKeyKOADIEMKPIGMPM-UHFFFAOYSA-N
XLogP0.73
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate with MolForge

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Related Compounds

methyl 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)propanoate
CID 121212172
2,2-dimethyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 61167800
3-methyl-1-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]butan-2-ol
CID 111422008
2-ethoxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 115655743
4-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 106127229
ethyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanoate
CID 61498623
(5-pyridin-3-yl-1H-pyrazol-4-yl)methanol
CID 43753528
[1-[[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]methyl]cyclobutyl]methanol
CID 126781528
1-(2-bromophenyl)-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 61402124
N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]pyridin-3-amine
CID 43756710
2,2-dimethyl-3-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]propanenitrile
CID 104587038
3-propan-2-yloxy-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43771400

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate?
The IUPAC name of methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate (CID 43756904) is methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate?
The canonical SMILES for methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate is COC(=O)CNCc1cn[nH]c1-c1cccnc1.
What is the InChIKey of methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate?
The InChIKey is KOADIEMKPIGMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-11(17)8-14-6-10-7-15-16-12(10)9-3-2-4-13-5-9/h2-5,7,14H,6,8H2,1H3,(H,15,16).
What are the key properties of methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate?
methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate has a molecular weight of 246.27 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methylamino]acetate is sourced from PubChem (CID 43756904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).