3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate

C15H21N3O5 — CID 25057248

IUPAC3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)C2CCCCC2)n(C(=O)OC)n1
InChIInChI=1S/C15H21N3O5/c1-3-23-14(20)11-9-12(18(17-11)15(21)22-2)16-13(19)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyCMMFDMJYINEPDI-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.19
Rot. Bonds4

About 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate

3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate (PubChem CID 25057248) has the molecular formula C15H21N3O5 and a molecular weight of 323.35 g/mol. Its IUPAC name is 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate.

Molecular Properties

Compound Name3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate
PubChem CID25057248
Molecular FormulaC15H21N3O5
Molecular Weight323.35 g/mol
Exact Mass323.15
IUPAC Name3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(NC(=O)C2CCCCC2)n(C(=O)OC)n1
InChIInChI=1S/C15H21N3O5/c1-3-23-14(20)11-9-12(18(17-11)15(21)22-2)16-13(19)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,19)
InChIKeyCMMFDMJYINEPDI-UHFFFAOYSA-N
XLogP2.19
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-O-ethyl 1-O-methyl 5-aminopyrazole-1,3-dicarboxylate
CID 11287330
ethyl 1-[5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carbonyl]piperidine-4-carboxylate
CID 51999805
ethyl 5-(cyclohexanecarbonylamino)-3-methyl-1,2-thiazole-4-carboxylate
CID 6470295
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
ethane;ethyl 5-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 145329445
butane;ethane;ethyl 1-cyclohexyl-5-ethylpyrazole-3-carboxylate
CID 143116712
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
5-(cyclohexanecarbonylamino)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-1-methylpyrazole-3-carboxamide
CID 51999836
5-(cyclopentanecarbonylamino)-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 51999549
ethyl 2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxylate
CID 868821
ethyl 4-[4-(cyclohexanecarbonylamino)anilino]benzoate
CID 112989355
5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 51999865

Frequently Asked Questions

What is the IUPAC name of 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate?
The IUPAC name of 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate (CID 25057248) is 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate.
What is the SMILES notation for 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate?
The canonical SMILES for 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate is CCOC(=O)c1cc(NC(=O)C2CCCCC2)n(C(=O)OC)n1.
What is the InChIKey of 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate?
The InChIKey is CMMFDMJYINEPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O5/c1-3-23-14(20)11-9-12(18(17-11)15(21)22-2)16-13(19)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H,16,19).
What are the key properties of 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate?
3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate has a molecular weight of 323.35 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-O-ethyl 1-O-methyl 5-(cyclohexanecarbonylamino)pyrazole-1,3-dicarboxylate is sourced from PubChem (CID 25057248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).