ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate

C11H14N4O4 — CID 110471741

IUPACethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H14N4O4/c1-2-19-11(18)6-5-12-15-9(6)14-10(17)7-3-4-8(16)13-7/h5,7H,2-4H2,1H3,(H,13,16)(H2,12,14,15,17)
InChIKeyQYOXGUUZKGANAS-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.20
Rot. Bonds4

About ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate

ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate (PubChem CID 110471741) has the molecular formula C11H14N4O4 and a molecular weight of 266.26 g/mol. Its IUPAC name is ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
PubChem CID110471741
Molecular FormulaC11H14N4O4
Molecular Weight266.26 g/mol
Exact Mass266.10
IUPAC Nameethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate
SMILESCCOC(=O)c1cn[nH]c1NC(=O)C1CCC(=O)N1
InChIInChI=1S/C11H14N4O4/c1-2-19-11(18)6-5-12-15-9(6)14-10(17)7-3-4-8(16)13-7/h5,7H,2-4H2,1H3,(H,13,16)(H2,12,14,15,17)
InChIKeyQYOXGUUZKGANAS-UHFFFAOYSA-N
XLogP-0.20
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 19587998
ethyl 3-[(5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110462157
3-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-3-oxopropanoic acid
CID 110480106
ethyl 5-[(2-amino-2-methylpropanoyl)amino]-1H-pyrazole-4-carboxylate
CID 110479995
ethyl 2-hydroxy-5-[[(2R)-7-oxoazepane-2-carbonyl]amino]benzoate
CID 125143991
4-[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-4-oxobutanoic acid
CID 15703585
ethyl 5-(3-methylbutanoylamino)-1H-pyrazole-4-carboxylate
CID 110470734
dimethyl 2-[[(4-ethoxycarbonyl-1H-pyrazol-5-yl)amino]-methylsulfanylmethylidene]propanedioate
CID 10337486
ethyl 5-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-1H-pyrazole-4-carboxylate
CID 110482748
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
N-(5-ethyl-1H-pyrazol-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 104619559
ethyl 5-[(4-methoxy-2,3,6-trimethylphenyl)sulfonylamino]-1H-pyrazole-4-carboxylate
CID 3426999

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate (CID 110471741) is ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate is CCOC(=O)c1cn[nH]c1NC(=O)C1CCC(=O)N1.
What is the InChIKey of ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
The InChIKey is QYOXGUUZKGANAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O4/c1-2-19-11(18)6-5-12-15-9(6)14-10(17)7-3-4-8(16)13-7/h5,7H,2-4H2,1H3,(H,13,16)(H2,12,14,15,17).
What are the key properties of ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate?
ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate has a molecular weight of 266.26 g/mol, XLogP of -0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-oxopyrrolidine-2-carbonyl)amino]-1H-pyrazole-4-carboxylate is sourced from PubChem (CID 110471741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).