methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate

C14H15N3O3 — CID 831891

IUPACmethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate
SMILESCCn1cc(C(=O)Nc2ccccc2C(=O)OC)cn1
InChIInChI=1S/C14H15N3O3/c1-3-17-9-10(8-15-17)13(18)16-12-7-5-4-6-11(12)14(19)20-2/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyRVVXYOSXWBWIDX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.94
Rot. Bonds4

About methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate

methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate (PubChem CID 831891) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate
PubChem CID831891
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Namemethyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate
SMILESCCn1cc(C(=O)Nc2ccccc2C(=O)OC)cn1
InChIInChI=1S/C14H15N3O3/c1-3-17-9-10(8-15-17)13(18)16-12-7-5-4-6-11(12)14(19)20-2/h4-9H,3H2,1-2H3,(H,16,18)
InChIKeyRVVXYOSXWBWIDX-UHFFFAOYSA-N
XLogP1.94
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate (CID 831891) is methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate is CCn1cc(C(=O)Nc2ccccc2C(=O)OC)cn1.
What is the InChIKey of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate?
The InChIKey is RVVXYOSXWBWIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-17-9-10(8-15-17)13(18)16-12-7-5-4-6-11(12)14(19)20-2/h4-9H,3H2,1-2H3,(H,16,18).
What are the key properties of methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate?
methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate has a molecular weight of 273.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethylpyrazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 831891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).