(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

C20H19N3O3 — CID 27318826

IUPAC(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
SMILESNC(=O)c1ccc(COC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H19N3O3/c21-20(25)17-9-6-15(7-10-17)14-26-19(24)11-8-16-12-22-23(13-16)18-4-2-1-3-5-18/h1-7,9-10,12-13H,8,11,14H2,(H2,21,25)
InChIKeyIUEMBUBUWKZQDQ-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.65
Rot. Bonds7

About (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate

(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate (PubChem CID 27318826) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
PubChem CID27318826
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
SMILESNC(=O)c1ccc(COC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C20H19N3O3/c21-20(25)17-9-6-15(7-10-17)14-26-19(24)11-8-16-12-22-23(13-16)18-4-2-1-3-5-18/h1-7,9-10,12-13H,8,11,14H2,(H2,21,25)
InChIKeyIUEMBUBUWKZQDQ-UHFFFAOYSA-N
XLogP2.65
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-[2-(1-phenylpyrazol-4-yl)ethyl]benzene-1,4-dicarboxamide
CID 134000714
[2-(3,4-difluorophenyl)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031347
(2-chloro-6-fluorophenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 55441869
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639050
[2-(methylcarbamoylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031416
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 46639287
[2-(cyclohexylamino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031247
[2-(N-acetylanilino)-1,3-thiazol-4-yl]methyl 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031568
(6-chloro-3-pyridinyl)methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 46542882
[2-oxo-2-(2,4,5-trichloroanilino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031215
[2-(3-cyanoanilino)-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27031201
[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate
CID 27236576

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
The IUPAC name of (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate (CID 27318826) is (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate is NC(=O)c1ccc(COC(=O)CCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
The InChIKey is IUEMBUBUWKZQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c21-20(25)17-9-6-15(7-10-17)14-26-19(24)11-8-16-12-22-23(13-16)18-4-2-1-3-5-18/h1-7,9-10,12-13H,8,11,14H2,(H2,21,25).
What are the key properties of (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate?
(4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate has a molecular weight of 349.39 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 3-(1-phenylpyrazol-4-yl)propanoate is sourced from PubChem (CID 27318826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).