ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate

C15H23N3O3 — CID 81495464

IUPACethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H23N3O3/c1-3-21-15(20)12-9-16-18(10-12)11(2)14(19)17-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,17,19)
InChIKeyNWUUBDLPKOZVCP-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.07
Rot. Bonds5

About ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate

ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate (PubChem CID 81495464) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
PubChem CID81495464
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Nameethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C(C)C(=O)NC2CCCCC2)c1
InChIInChI=1S/C15H23N3O3/c1-3-21-15(20)12-9-16-18(10-12)11(2)14(19)17-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,17,19)
InChIKeyNWUUBDLPKOZVCP-UHFFFAOYSA-N
XLogP2.07
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate (CID 81495464) is ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(C(C)C(=O)NC2CCCCC2)c1.
What is the InChIKey of ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate?
The InChIKey is NWUUBDLPKOZVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-21-15(20)12-9-16-18(10-12)11(2)14(19)17-13-7-5-4-6-8-13/h9-11,13H,3-8H2,1-2H3,(H,17,19).
What are the key properties of ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate?
ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate has a molecular weight of 293.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[1-(cyclohexylamino)-1-oxopropan-2-yl]pyrazole-4-carboxylate is sourced from PubChem (CID 81495464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).