ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate

C13H14N4O3 — CID 82365389

IUPACethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C13H14N4O3/c1-2-20-13(19)10-7-16-17(11(10)14)9-5-3-8(4-6-9)12(15)18/h3-7H,2,14H2,1H3,(H2,15,18)
InChIKeyRNEJYCFDOURMEA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.73
Rot. Bonds4

About ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate

ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate (PubChem CID 82365389) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
PubChem CID82365389
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Nameethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(C(N)=O)cc2)c1N
InChIInChI=1S/C13H14N4O3/c1-2-20-13(19)10-7-16-17(11(10)14)9-5-3-8(4-6-9)12(15)18/h3-7H,2,14H2,1H3,(H2,15,18)
InChIKeyRNEJYCFDOURMEA-UHFFFAOYSA-N
XLogP0.73
TPSA113.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 5-amino-1-[4-(propylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363367
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethyl 5-amino-1-(3,4-dimethoxyphenyl)pyrazole-4-carboxylate
CID 82365413
ethyl 5-amino-1-[4-(4-ethylpiperazine-1-carbonyl)phenyl]pyrazole-4-carboxylate
CID 46363328
ethyl 5-amino-1-[4-[butyl(methyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363324
ethyl 5-amino-1-[4-(1-phenylethylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46363371
ethyl 5-amino-1-(6-methoxy-3-pyridinyl)pyrazole-4-carboxylate
CID 67053258
ethyl 5-amino-1-(4-carbamoylphenyl)triazole-4-carboxylate
CID 82195352
ethyl 5-amino-1-[4-[chloro(difluoro)methoxy]phenyl]pyrazole-4-carboxylate
CID 625309
ethyl 5-amino-1-[4-[(2-methoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363359
ethyl 5-amino-1-[4-[(3-methoxyphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363338
ethyl 5-amino-1-(4-chloro-3-fluorophenyl)pyrazole-4-carboxylate
CID 79150341

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate (CID 82365389) is ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(C(N)=O)cc2)c1N.
What is the InChIKey of ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate?
The InChIKey is RNEJYCFDOURMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-2-20-13(19)10-7-16-17(11(10)14)9-5-3-8(4-6-9)12(15)18/h3-7H,2,14H2,1H3,(H2,15,18).
What are the key properties of ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate?
ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate has a molecular weight of 274.28 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-1-(4-carbamoylphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 82365389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).