ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate

C16H21N3O5 — CID 3243818

IUPACethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)C2CC2)c1NC(=O)C1CC1
InChIInChI=1S/C16H21N3O5/c1-2-23-16(22)12-9-17-19(7-8-24-15(21)11-5-6-11)13(12)18-14(20)10-3-4-10/h9-11H,2-8H2,1H3,(H,18,20)
InChIKeyRUGHNOHEZZMTBR-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.36
Rot. Bonds8

About ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate

ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate (PubChem CID 3243818) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate
PubChem CID3243818
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Nameethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCOC(=O)C2CC2)c1NC(=O)C1CC1
InChIInChI=1S/C16H21N3O5/c1-2-23-16(22)12-9-17-19(7-8-24-15(21)11-5-6-11)13(12)18-14(20)10-3-4-10/h9-11H,2-8H2,1H3,(H,18,20)
InChIKeyRUGHNOHEZZMTBR-UHFFFAOYSA-N
XLogP1.36
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
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-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate (CID 3243818) is ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCOC(=O)C2CC2)c1NC(=O)C1CC1.
What is the InChIKey of ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate?
The InChIKey is RUGHNOHEZZMTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-2-23-16(22)12-9-17-19(7-8-24-15(21)11-5-6-11)13(12)18-14(20)10-3-4-10/h9-11H,2-8H2,1H3,(H,18,20).
What are the key properties of ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate?
ethyl 5-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate has a molecular weight of 335.36 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-(cyclopropanecarbonylamino)-1-[2-(cyclopropanecarbonyloxy)ethyl]pyrazole-4-carboxylate is sourced from PubChem (CID 3243818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).