methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate

C13H14N4O3 — CID 63102517

IUPACmethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1[nH]ncc1N)c1ccccc1
InChIInChI=1S/C13H14N4O3/c1-20-13(19)10(8-5-3-2-4-6-8)16-12(18)11-9(14)7-15-17-11/h2-7,10H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyRQZBFZMFMPNTKT-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.64
Rot. Bonds4

About methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate

methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate (PubChem CID 63102517) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
PubChem CID63102517
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Namemethyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1[nH]ncc1N)c1ccccc1
InChIInChI=1S/C13H14N4O3/c1-20-13(19)10(8-5-3-2-4-6-8)16-12(18)11-9(14)7-15-17-11/h2-7,10H,14H2,1H3,(H,15,17)(H,16,18)
InChIKeyRQZBFZMFMPNTKT-UHFFFAOYSA-N
XLogP0.64
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
CID 64539915
4-amino-N-pentan-3-yl-1H-pyrazole-5-carboxamide
CID 63106670
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
methyl (2R)-2-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]-2-phenylacetate
CID 95295438
4-amino-N-[1-(2-methylphenyl)propan-2-yl]-1H-pyrazole-5-carboxamide
CID 55178986
4-amino-N-but-3-yn-2-yl-1H-pyrazole-5-carboxamide
CID 114414627

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate?
The IUPAC name of methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate (CID 63102517) is methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate is COC(=O)C(NC(=O)c1[nH]ncc1N)c1ccccc1.
What is the InChIKey of methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate?
The InChIKey is RQZBFZMFMPNTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-20-13(19)10(8-5-3-2-4-6-8)16-12(18)11-9(14)7-15-17-11/h2-7,10H,14H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate?
methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate has a molecular weight of 274.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 63102517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).