[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate

C20H25N3O3 — CID 27031247

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
SMILESO=C(COC(=O)CCc1cnn(-c2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C20H25N3O3/c24-19(22-17-7-3-1-4-8-17)15-26-20(25)12-11-16-13-21-23(14-16)18-9-5-2-6-10-18/h2,5-6,9-10,13-14,17H,1,3-4,7-8,11-12,15H2,(H,22,24)
InChIKeyVIGIZFLDDXXMKM-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.80
Rot. Bonds7

About [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate

[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate (PubChem CID 27031247) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
PubChem CID27031247
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
SMILESO=C(COC(=O)CCc1cnn(-c2ccccc2)c1)NC1CCCCC1
InChIInChI=1S/C20H25N3O3/c24-19(22-17-7-3-1-4-8-17)15-26-20(25)12-11-16-13-21-23(14-16)18-9-5-2-6-10-18/h2,5-6,9-10,13-14,17H,1,3-4,7-8,11-12,15H2,(H,22,24)
InChIKeyVIGIZFLDDXXMKM-UHFFFAOYSA-N
XLogP2.80
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441885
N-[2-(cycloheptylamino)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119619446
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031215
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27236576
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
2-(1-phenylpyrazol-4-yl)-N-piperidin-3-ylacetamide
CID 119424441
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27318826
[2-(3-cyanoanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031201
[2-oxo-2-(2-thiophen-2-ylpyrrolidin-1-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441243
[2-(cyclopentylamino)-2-oxoethyl] 3-(3-aminophenyl)propanoate
CID 80695406
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639287

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate (CID 27031247) is [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate is O=C(COC(=O)CCc1cnn(-c2ccccc2)c1)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
The InChIKey is VIGIZFLDDXXMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c24-19(22-17-7-3-1-4-8-17)15-26-20(25)12-11-16-13-21-23(14-16)18-9-5-2-6-10-18/h2,5-6,9-10,13-14,17H,1,3-4,7-8,11-12,15H2,(H,22,24).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate?
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate has a molecular weight of 355.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 27031247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).