ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate

C12H14N4O3 — CID 167327938

IUPACethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2cnn(CC3CC3)c2)no1
InChIInChI=1S/C12H14N4O3/c1-2-18-12(17)11-14-10(15-19-11)9-5-13-16(7-9)6-8-3-4-8/h5,7-8H,2-4,6H2,1H3
InChIKeyPMVDBBBKCJDLSE-UHFFFAOYSA-N
MW262.27 g/mol
LogP1.52
Rot. Bonds5

About ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate

ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 167327938) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID167327938
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Nameethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCCOC(=O)c1nc(-c2cnn(CC3CC3)c2)no1
InChIInChI=1S/C12H14N4O3/c1-2-18-12(17)11-14-10(15-19-11)9-5-13-16(7-9)6-8-3-4-8/h5,7-8H,2-4,6H2,1H3
InChIKeyPMVDBBBKCJDLSE-UHFFFAOYSA-N
XLogP1.52
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate (CID 167327938) is ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate is CCOC(=O)c1nc(-c2cnn(CC3CC3)c2)no1.
What is the InChIKey of ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is PMVDBBBKCJDLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-2-18-12(17)11-14-10(15-19-11)9-5-13-16(7-9)6-8-3-4-8/h5,7-8H,2-4,6H2,1H3.
What are the key properties of ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate?
ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 262.27 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[1-(cyclopropylmethyl)pyrazol-4-yl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 167327938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).