methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate

C13H15N3O2 — CID 61167303

IUPACmethyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccccc1-n1cccn1
InChIInChI=1S/C13H15N3O2/c1-18-13(17)10-14-9-11-5-2-3-6-12(11)16-8-4-7-15-16/h2-8,14H,9-10H2,1H3
InChIKeyNYHJLYTVTATJFW-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.13
Rot. Bonds5

About methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate

methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate (PubChem CID 61167303) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
PubChem CID61167303
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
SMILESCOC(=O)CNCc1ccccc1-n1cccn1
InChIInChI=1S/C13H15N3O2/c1-18-13(17)10-14-9-11-5-2-3-6-12(11)16-8-4-7-15-16/h2-8,14H,9-10H2,1H3
InChIKeyNYHJLYTVTATJFW-UHFFFAOYSA-N
XLogP1.13
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[(2-pyrazol-1-ylphenyl)methylamino]propanamide
CID 62324592
3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 61165939
N-[(3,5-dimethoxyphenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 51089946
tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
2-amino-3-methoxy-N-[(2-pyrazol-1-ylphenyl)methyl]propanamide
CID 81089680
methyl 2-[(2-ethylphenyl)methylamino]acetate
CID 62390681
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
methyl 2-methyl-6-[(2-pyrazol-1-ylphenyl)methylamino]pyridine-3-carboxylate
CID 133391365
N-[(2-pyrazol-1-ylphenyl)methyl]methanesulfonamide
CID 47454487
N-[(2-pyrazol-1-ylphenyl)methyl]-1-pyridin-4-ylmethanamine
CID 61165719
2-bromo-N-[(2-pyrazol-1-ylphenyl)methyl]butanamide
CID 62854534

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate?
The IUPAC name of methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate (CID 61167303) is methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate.
What is the SMILES notation for methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate?
The canonical SMILES for methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate is COC(=O)CNCc1ccccc1-n1cccn1.
What is the InChIKey of methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate?
The InChIKey is NYHJLYTVTATJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-18-13(17)10-14-9-11-5-2-3-6-12(11)16-8-4-7-15-16/h2-8,14H,9-10H2,1H3.
What are the key properties of methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate?
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate is sourced from PubChem (CID 61167303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).