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

C14H15N3O3 — CID 61022217

IUPAC2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3O3/c1-2-16(10-13(18)19)14(20)11-8-15-17(9-11)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyIEVMROWBJXDVIL-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.42
Rot. Bonds5

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

2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid (PubChem CID 61022217) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
PubChem CID61022217
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C14H15N3O3/c1-2-16(10-13(18)19)14(20)11-8-15-17(9-11)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,19)
InChIKeyIEVMROWBJXDVIL-UHFFFAOYSA-N
XLogP1.42
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
2-[2-methoxyethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 119189506
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
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
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
3-[[1-(4-bromophenyl)pyrazole-4-carbonyl]-ethylamino]propanoic acid
CID 119190871
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 55425881
4-[methyl-(1-phenylpyrazole-4-carbonyl)amino]butanoic acid
CID 43090429
N-methyl-N-[(2-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 18114053

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid (CID 61022217) is 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid is CCN(CC(=O)O)C(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
The InChIKey is IEVMROWBJXDVIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-16(10-13(18)19)14(20)11-8-15-17(9-11)12-6-4-3-5-7-12/h3-9H,2,10H2,1H3,(H,18,19).
What are the key properties of 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid?
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid has a molecular weight of 273.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 61022217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).