ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate

C16H19N3O3 — CID 78901864

IUPACethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O3/c1-3-18(12-15(20)22-4-2)16(21)13-10-17-19(11-13)14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3
InChIKeyJCVACKVGFMKPLR-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.90
Rot. Bonds6

About ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate

ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate (PubChem CID 78901864) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
PubChem CID78901864
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Nameethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O3/c1-3-18(12-15(20)22-4-2)16(21)13-10-17-19(11-13)14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3
InChIKeyJCVACKVGFMKPLR-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

2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 55425881
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
N,N-dimethyl-1-phenylpyrazole-4-carboxamide
CID 22103774
N-(2-chloroethyl)-1-phenyl-N-propylpyrazole-4-carboxamide
CID 63393118
N-ethyl-N-[(3-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18116117
ethyl 2-[ethyl-(4-phenoxybenzoyl)amino]acetate
CID 78902194
2-oxopropyl 1-phenylpyrazole-4-carboxylate
CID 55425880
N-(2-amino-2-hydroxyiminoethyl)-N-methyl-1-phenylpyrazole-4-carboxamide
CID 76929282
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate (CID 78901864) is ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate is CCOC(=O)CN(CC)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate?
The InChIKey is JCVACKVGFMKPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-18(12-15(20)22-4-2)16(21)13-10-17-19(11-13)14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate?
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate 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 ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate is sourced from PubChem (CID 78901864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).