methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate

C16H19N3O3 — CID 60520905

IUPACmethyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-3-18(11-10-15(20)22-2)16(21)14-9-12-19(17-14)13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyUOXWQADBPOWDCH-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.90
Rot. Bonds6

About methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate

methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate (PubChem CID 60520905) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
PubChem CID60520905
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Namemethyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate
SMILESCCN(CCC(=O)OC)C(=O)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C16H19N3O3/c1-3-18(11-10-15(20)22-2)16(21)14-9-12-19(17-14)13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3
InChIKeyUOXWQADBPOWDCH-UHFFFAOYSA-N
XLogP1.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[methyl-(1-phenylpyrazole-3-carbonyl)amino]propanoic acid
CID 60988552
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
1-phenyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-3-carboxamide
CID 52638173
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-1-phenylpyrazole-3-carboxamide
CID 107482740
N-(2-amino-2-oxoethyl)-1-(4-aminophenyl)-N-ethylpyrazole-3-carboxamide
CID 103100909
3-[ethyl-(2-phenyltriazole-4-carbonyl)amino]propanoic acid
CID 61007666
methyl 3-[ethyl(pyrazine-2-carbonyl)amino]propanoate
CID 54899038
ethane;1-phenylpyrazole-3-carboxylic acid
CID 177006873
methyl 3-[(5-chloropyrazine-2-carbonyl)-ethylamino]propanoate
CID 103817201
N-[2-[di(propan-2-yl)amino]ethyl]-1-phenylpyrazole-3-carboxamide
CID 39954880
ethyl 2-[ethyl-[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]acetate
CID 78902101
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667

Frequently Asked Questions

What is the IUPAC name of methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate (CID 60520905) is methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate is CCN(CCC(=O)OC)C(=O)c1ccn(-c2ccccc2)n1.
What is the InChIKey of methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate?
The InChIKey is UOXWQADBPOWDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-18(11-10-15(20)22-2)16(21)14-9-12-19(17-14)13-7-5-4-6-8-13/h4-9,12H,3,10-11H2,1-2H3.
What are the key properties of methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate?
methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate has a molecular weight of 301.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[ethyl-(1-phenylpyrazole-3-carbonyl)amino]propanoate is sourced from PubChem (CID 60520905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).