ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate

C14H14FN3O3 — CID 70075492

IUPACethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccccc1F
InChIInChI=1S/C14H14FN3O3/c1-3-21-14(20)10-8-16-18(2)12(10)17-13(19)9-6-4-5-7-11(9)15/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyBIHXTKCIUUGTGD-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.99
Rot. Bonds4

About ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate (PubChem CID 70075492) has the molecular formula C14H14FN3O3 and a molecular weight of 291.28 g/mol. Its IUPAC name is ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
PubChem CID70075492
Molecular FormulaC14H14FN3O3
Molecular Weight291.28 g/mol
Exact Mass291.10
IUPAC Nameethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccccc1F
InChIInChI=1S/C14H14FN3O3/c1-3-21-14(20)10-8-16-18(2)12(10)17-13(19)9-6-4-5-7-11(9)15/h4-8H,3H2,1-2H3,(H,17,19)
InChIKeyBIHXTKCIUUGTGD-UHFFFAOYSA-N
XLogP1.99
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxypropyl)pyrazole-4-carboxylate
CID 25211029
Ethyl 5-(benzylcarbamoylamino)-1-(2-hydroxybutyl)pyrazole-4-carboxylate
CID 25211116
Ethyl 5-[(4-benzylpiperazine-1-carbonyl)amino]-1-methylpyrazole-4-carboxylate
CID 44574689
Ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-methylpyrazole-4-carboxylate
CID 2807863
ethyl 5-amino-1-(4-methylbenzyl)-1H-pyrazole-4-carboxylate
CID 937102
ethyl {3-[(4-fluorobenzoyl)amino]-1H-pyrazol-1-yl}acetate
CID 5303395
ethyl 5-amino-1-benzyl-1H-pyrazole-4-carboxylate
CID 785810
ethyl 5-[(2-methylbenzoyl)amino]-1-phenyl-1H-pyrazole-4-carboxylate
CID 872379
methyl 5-amino-1-(2-bromobenzoyl)-1H-pyrazole-4-carboxylate
CID 3449798
Ethyl 5-(benzylcarbamoylamino)-1-methylpyrazole-4-carboxylate
CID 44574654

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate (CID 70075492) is ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)c1ccccc1F.
What is the InChIKey of ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is BIHXTKCIUUGTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O3/c1-3-21-14(20)10-8-16-18(2)12(10)17-13(19)9-6-4-5-7-11(9)15/h4-8H,3H2,1-2H3,(H,17,19).
What are the key properties of ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 291.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(2-fluorobenzoyl)amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 70075492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).