ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate

C14H14FN3O3 — CID 5303395

IUPACethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3/c1-2-21-13(19)9-18-8-7-12(17-18)16-14(20)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,20)
InChIKeyOHDWNLWDZAEIJS-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.84
Rot. Bonds5

About ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate

ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate (PubChem CID 5303395) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
PubChem CID5303395
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Nameethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1ccc(NC(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C14H14FN3O3/c1-2-21-13(19)9-18-8-7-12(17-18)16-14(20)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,20)
InChIKeyOHDWNLWDZAEIJS-UHFFFAOYSA-N
XLogP1.84
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285013
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
methyl 4-[[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]carbamoyl]benzoate
CID 19285180
4-ethoxy-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286726
ethyl 4-[[1-(2-pyridin-4-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 138989642
N-(1-ethylpyrazol-3-yl)-4-(methylamino)benzamide
CID 114252349
4-[(4-fluorophenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284891
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
3-bromo-N-(1-ethylpyrazol-3-yl)-4-fluorobenzamide
CID 114251537
1-ethyl-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
CID 19284975
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-ethoxybenzamide
CID 1246315

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate (CID 5303395) is ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate is CCOC(=O)Cn1ccc(NC(=O)c2ccc(F)cc2)n1.
What is the InChIKey of ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate?
The InChIKey is OHDWNLWDZAEIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-2-21-13(19)9-18-8-7-12(17-18)16-14(20)10-3-5-11(15)6-4-10/h3-8H,2,9H2,1H3,(H,16,17,20).
What are the key properties of ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate?
ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate has a molecular weight of 291.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-[(4-fluorobenzoyl)amino]pyrazol-1-yl]acetate is sourced from PubChem (CID 5303395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).