[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate

C14H19N3O3 — CID 7863126

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C14H19N3O3/c18-13(9-20-14(19)10-5-6-10)16-12-7-8-15-17(12)11-3-1-2-4-11/h7-8,10-11H,1-6,9H2,(H,16,18)
InChIKeyCYOMOGOPXPPVHQ-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.89
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 7863126) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID7863126
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C14H19N3O3/c18-13(9-20-14(19)10-5-6-10)16-12-7-8-15-17(12)11-3-1-2-4-11/h7-8,10-11H,1-6,9H2,(H,16,18)
InChIKeyCYOMOGOPXPPVHQ-UHFFFAOYSA-N
XLogP1.89
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-Oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
CID 4878258
(2S)-N-(2-cyclopentylpyrazol-3-yl)oxolane-2-carboxamide
CID 39965405
(2S)-N-(1-tert-butylpyrazol-3-yl)-2-cyclopentyloxybutanamide
CID 95625272
2-methoxy-N-[2-[(2S)-4-methylpentan-2-yl]pyrazol-3-yl]acetamide
CID 124286884
(3S)-N-(2-cyclopentylpyrazol-3-yl)-1-(2-methoxyethyl)pyrrolidine-3-carboxamide
CID 164629745
1-(2-Acetoxyethyl)-5-acetylaminopyrazole
CID 22916765
2-[(2-methylpropan-2-yl)oxy]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 89565658
2-methoxy-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 103605165
3-methyl-N-[2-(oxetan-3-yl)pyrazol-3-yl]butanamide
CID 176873224
[(2S)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
CID 2449998
[(2R)-1-oxo-1-[(2-propan-2-ylpyrazol-3-yl)amino]propan-2-yl] cyclopropanecarboxylate
CID 2450000
[2-[(2-Cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 7691069

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate (CID 7863126) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is CYOMOGOPXPPVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-13(9-20-14(19)10-5-6-10)16-12-7-8-15-17(12)11-3-1-2-4-11/h7-8,10-11H,1-6,9H2,(H,16,18).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 7863126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).