methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate

C15H17N3O3 — CID 61032083

IUPACmethyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18(9-8-13(19)21-2)15(20)12-10-16-17-14(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyLTSPACHFOREKSK-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.71
Rot. Bonds5

About methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate

methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate (PubChem CID 61032083) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
PubChem CID61032083
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemethyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)c1cn[nH]c1-c1ccccc1
InChIInChI=1S/C15H17N3O3/c1-18(9-8-13(19)21-2)15(20)12-10-16-17-14(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17)
InChIKeyLTSPACHFOREKSK-UHFFFAOYSA-N
XLogP1.71
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]acetate
CID 43409768
methyl 3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate
CID 60712516
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 119653124
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
methyl 4-[1H-indazole-7-carbonyl(methyl)amino]butanoate
CID 39491409
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 86855483
methyl 3-[(3-hydroxynaphthalene-2-carbonyl)-methylamino]propanoate
CID 61030402
3-[(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 43354670
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
N-[(1-benzylimidazol-2-yl)methyl]-N-methyl-5-phenyl-1H-pyrazole-4-carboxamide
CID 72872063
methyl 3-[methyl-[2-(propan-2-ylamino)benzoyl]amino]propanoate
CID 63108513
5-(4-phenylphenyl)-1H-pyrazole-4-carboxylic acid
CID 28948764

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate (CID 61032083) is methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate is COC(=O)CCN(C)C(=O)c1cn[nH]c1-c1ccccc1.
What is the InChIKey of methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
The InChIKey is LTSPACHFOREKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-18(9-8-13(19)21-2)15(20)12-10-16-17-14(12)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,16,17).
What are the key properties of methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate?
methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate has a molecular weight of 287.32 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-(5-phenyl-1H-pyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 61032083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).