ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate

C14H21N3O5 — CID 45106288

IUPACethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)CC)c1NC(=O)CC
InChIInChI=1S/C14H21N3O5/c1-4-11(18)16-13-10(14(20)21-6-3)9-15-17(13)7-8-22-12(19)5-2/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeySWJZXRDZNBBKEX-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.36
Rot. Bonds8

About ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate

ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate (PubChem CID 45106288) has the molecular formula C14H21N3O5 and a molecular weight of 311.34 g/mol. Its IUPAC name is ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate
PubChem CID45106288
Molecular FormulaC14H21N3O5
Molecular Weight311.34 g/mol
Exact Mass311.15
IUPAC Nameethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)CC)c1NC(=O)CC
InChIInChI=1S/C14H21N3O5/c1-4-11(18)16-13-10(14(20)21-6-3)9-15-17(13)7-8-22-12(19)5-2/h9H,4-8H2,1-3H3,(H,16,18)
InChIKeySWJZXRDZNBBKEX-UHFFFAOYSA-N
XLogP1.36
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate (CID 45106288) is ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCOC(=O)CC)c1NC(=O)CC.
What is the InChIKey of ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate?
The InChIKey is SWJZXRDZNBBKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O5/c1-4-11(18)16-13-10(14(20)21-6-3)9-15-17(13)7-8-22-12(19)5-2/h9H,4-8H2,1-3H3,(H,16,18).
What are the key properties of ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate?
ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate has a molecular weight of 311.34 g/mol, XLogP of 1.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(propanoylamino)-1-(2-propanoyloxyethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 45106288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).