ethyl 5-acetamido-1H-pyrazole-4-carboxylate

C8H11N3O3 — CID 13350196

IUPACethyl 5-acetamido-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(C)=O
InChIInChI=1S/C8H11N3O3/c1-3-14-8(13)6-4-9-11-7(6)10-5(2)12/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyVXPNQAVZOJQXJV-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.54
Rot. Bonds3

About ethyl 5-acetamido-1H-pyrazole-4-carboxylate

ethyl 5-acetamido-1H-pyrazole-4-carboxylate (PubChem CID 13350196) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is ethyl 5-acetamido-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-acetamido-1H-pyrazole-4-carboxylate
PubChem CID13350196
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Nameethyl 5-acetamido-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(C)=O
InChIInChI=1S/C8H11N3O3/c1-3-14-8(13)6-4-9-11-7(6)10-5(2)12/h4H,3H2,1-2H3,(H2,9,10,11,12)
InChIKeyVXPNQAVZOJQXJV-UHFFFAOYSA-N
XLogP0.54
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate
CID 3797861
Ethyl 5-(formylamino)-1H-pyrazole-4-carboxylate
CID 13926581
ethyl 5-amino-3-[(2,2,2-trifluoroacetyl)amino]-1H-pyrazole-4-carboxylate
CID 2315464
ethyl 5-(butylcarbamothioylamino)-1H-pyrazole-4-carboxylate
CID 76311929
ethyl 5-(ethylcarbamothioylamino)-1H-pyrazole-4-carboxylate
CID 76315471
Ethyl-3-(2-carbethoxy-2-cyanoethenyl)amino-1H-pyrazole-4-carboxylate, (E)-
CID 736594
ethyl 5-(2-chloroacetamido)-1-methyl-1H-pyrazole-4-carboxylate
CID 22695601
Ethyl 5-propanamido-1-[2-(propanoyloxy)ethyl]-1H-pyrazole-4-carboxylate
CID 45106288
4-Ethyl 1-methyl 5-amino-1H-pyrazole-1,4-dicarboxylate
CID 2967086
Ethyl 1-acetyl-5-aminopyrazole-4-carboxylate
CID 4652436
Ethyl 5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 135513254
Ethyl 3-(butanoylamino)-1-methylpyrazole-4-carboxylate
CID 75444084

Frequently Asked Questions

What is the IUPAC name of ethyl 5-acetamido-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-acetamido-1H-pyrazole-4-carboxylate (CID 13350196) is ethyl 5-acetamido-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-acetamido-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-acetamido-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NC(C)=O.
What is the InChIKey of ethyl 5-acetamido-1H-pyrazole-4-carboxylate?
The InChIKey is VXPNQAVZOJQXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-3-14-8(13)6-4-9-11-7(6)10-5(2)12/h4H,3H2,1-2H3,(H2,9,10,11,12).
What are the key properties of ethyl 5-acetamido-1H-pyrazole-4-carboxylate?
ethyl 5-acetamido-1H-pyrazole-4-carboxylate has a molecular weight of 197.19 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-acetamido-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 13350196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).