ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate

C15H17N3O3 — CID 6465292

IUPACethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-3-18-10-9-13(17-18)14(19)16-12-7-5-11(6-8-12)15(20)21-4-2/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyNKXDPGSZKILBLW-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.33
Rot. Bonds5

About ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate

ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate (PubChem CID 6465292) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
PubChem CID6465292
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Nameethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1
InChIInChI=1S/C15H17N3O3/c1-3-18-10-9-13(17-18)14(19)16-12-7-5-11(6-8-12)15(20)21-4-2/h5-10H,3-4H2,1-2H3,(H,16,19)
InChIKeyNKXDPGSZKILBLW-UHFFFAOYSA-N
XLogP2.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 1225939
methyl 2-{[(1-ethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoate
CID 831891
ethyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate
CID 2741137
Methyl 4-[[2-(1-methyl-1H-pyrrol-2-yl)-2-oxoacetyl]amino]benzoate
CID 3248930
4-[(2-Ethyl-2H-pyrazole-3-carbonyl)-amino]-benzoic acid isopropyl ester
CID 841888
ethyl 1-methyl-3-(3-toluidinocarbonyl)-1H-pyrazole-5-carboxylate
CID 843036
methyl 4-[({[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 994540
isopropyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1226242
butyl 4-[({[(4-chloro-1-methyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate
CID 1765982
4-{[(1,5-dimethyl-1H-pyrazol-4-yl)carbonyl]amino}benzoic acid
CID 3239547
methyl 2-{[(1-methyl-1H-pyrazol-5-yl)carbonyl]amino}benzoate
CID 6466448
ethyl 4-{[(4-bromo-1-ethyl-1H-pyrazol-3-yl)carbonyl]amino}benzoate
CID 1301789

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate (CID 6465292) is ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2ccn(CC)n2)cc1.
What is the InChIKey of ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
The InChIKey is NKXDPGSZKILBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-3-18-10-9-13(17-18)14(19)16-12-7-5-11(6-8-12)15(20)21-4-2/h5-10H,3-4H2,1-2H3,(H,16,19).
What are the key properties of ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate?
ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate has a molecular weight of 287.32 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethylpyrazole-3-carbonyl)amino]benzoate is sourced from PubChem (CID 6465292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).