ethyl 1-acetyl-5-aminopyrazole-4-carboxylate

C8H11N3O3 — CID 4652436

IUPACethyl 1-acetyl-5-aminopyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)=O)c1N
InChIInChI=1S/C8H11N3O3/c1-3-14-8(13)6-4-10-11(5(2)12)7(6)9/h4H,3,9H2,1-2H3
InChIKeyDNXSLTSHJBKVDM-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.30
Rot. Bonds2

About ethyl 1-acetyl-5-aminopyrazole-4-carboxylate

ethyl 1-acetyl-5-aminopyrazole-4-carboxylate (PubChem CID 4652436) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 1-acetyl-5-aminopyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-acetyl-5-aminopyrazole-4-carboxylate
PubChem CID4652436
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 1-acetyl-5-aminopyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)=O)c1N
InChIInChI=1S/C8H11N3O3/c1-3-14-8(13)6-4-10-11(5(2)12)7(6)9/h4H,3,9H2,1-2H3
InChIKeyDNXSLTSHJBKVDM-UHFFFAOYSA-N
XLogP0.30
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 271299
Ethyl 5-amino-1-(2-hydroxyethyl)-1H-pyrazole-4-carboxylate
CID 429881
Ethyl 1-methyl-5-(propan-2-ylcarbamoylamino)pyrazole-4-carboxylate
CID 44574653
ethyl 5-[(2,2-dimethylpropanoyl)amino]-1-{2-[(2,2-dimethylpropanoyl)oxy]ethyl}-1H-pyrazole-4-carboxylate
CID 3244478
ethyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 252927
ethyl 5-amino-1-(cyclohexylmethyl)-1H-pyrazole-4-carboxylate
CID 684548
methyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 15140326
ethyl 4H,5H,6H,7H-pyrazolo(1,5-a)pyrimidine-3-carboxylate
CID 135741791
ethyl 5-isocyanato-1-methyl-1H-pyrazole-4-carboxylate
CID 83383185
ethyl 5-amino-1-(tert-butyl)-1H-pyrazole-4-carboxylate
CID 13809946
methyl 3-amino-1-methyl-1H-pyrazole-4-carboxylate
CID 20388928
ethyl 5-amino-1-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxylate
CID 22831608

Frequently Asked Questions

What is the IUPAC name of ethyl 1-acetyl-5-aminopyrazole-4-carboxylate?
The IUPAC name of ethyl 1-acetyl-5-aminopyrazole-4-carboxylate (CID 4652436) is ethyl 1-acetyl-5-aminopyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-acetyl-5-aminopyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-acetyl-5-aminopyrazole-4-carboxylate is CCOC(=O)c1cnn(C(C)=O)c1N.
What is the InChIKey of ethyl 1-acetyl-5-aminopyrazole-4-carboxylate?
The InChIKey is DNXSLTSHJBKVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-14-8(13)6-4-10-11(5(2)12)7(6)9/h4H,3,9H2,1-2H3.
What are the key properties of ethyl 1-acetyl-5-aminopyrazole-4-carboxylate?
ethyl 1-acetyl-5-aminopyrazole-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-acetyl-5-aminopyrazole-4-carboxylate is sourced from PubChem (CID 4652436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).