methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate

C15H18ClN3O2 — CID 62109634

IUPACmethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C15H18ClN3O2/c1-10-12(14(16)19(2)18-10)9-17-13(15(20)21-3)11-7-5-4-6-8-11/h4-8,13,17H,9H2,1-3H3
InChIKeyIPCBJEWHQTWJDY-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.39
Rot. Bonds5

About methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate

methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate (PubChem CID 62109634) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
PubChem CID62109634
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC Namemethyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate
SMILESCOC(=O)C(NCc1c(C)nn(C)c1Cl)c1ccccc1
InChIInChI=1S/C15H18ClN3O2/c1-10-12(14(16)19(2)18-10)9-17-13(15(20)21-3)11-7-5-4-6-8-11/h4-8,13,17H,9H2,1-3H3
InChIKeyIPCBJEWHQTWJDY-UHFFFAOYSA-N
XLogP2.39
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (2S)-2-[(5-chloro-1,3-dimethylpyrazole-4-carbonyl)amino]-2-phenylacetate
CID 40567651
methyl 2-[(2,6-dimethylphenyl)methylamino]-2-phenylacetate
CID 78997392
methyl 2-[(2-methylpyrazol-3-yl)methylamino]-2-phenylacetate
CID 62108958
ethyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-2-phenylacetate
CID 74228946
methyl 2-(benzylamino)-2-phenylacetate;hydrochloride
CID 12677532
tert-butyl (2R)-2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 75447083
methyl 2-phenyl-2-[(1,2,5-trimethylpyrrol-3-yl)methylamino]acetate
CID 62474419
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631474
methyl (2S)-2-[[3-[[[(1S)-2-methoxy-2-oxo-1-phenylethyl]amino]methyl]phenyl]methylamino]-2-phenylacetate
CID 24762008
(2R)-2-[(1,3-dimethyl-5-morpholin-4-ylpyrazol-4-yl)methylamino]-2-phenylacetamide
CID 95138985
methyl 2-phenyl-2-(pyridin-2-ylmethylamino)acetate
CID 60647783
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide
CID 110027846

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate?
The IUPAC name of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate (CID 62109634) is methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate is COC(=O)C(NCc1c(C)nn(C)c1Cl)c1ccccc1.
What is the InChIKey of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate?
The InChIKey is IPCBJEWHQTWJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-10-12(14(16)19(2)18-10)9-17-13(15(20)21-3)11-7-5-4-6-8-11/h4-8,13,17H,9H2,1-3H3.
What are the key properties of methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate?
methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate has a molecular weight of 307.78 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-2-phenylacetate is sourced from PubChem (CID 62109634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).