propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate

C24H26ClN3O3 — CID 18287238

IUPACpropan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-17(2)31-24(30)14-22(20-10-6-7-11-21(20)25)27-23(29)13-12-18-15-26-28(16-18)19-8-4-3-5-9-19/h3-11,15-17,22H,12-14H2,1-2H3,(H,27,29)
InChIKeyAYHQDIXMAHUWHN-UHFFFAOYSA-N
MW439.94 g/mol
LogP4.66
Rot. Bonds9

About propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate

propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate (PubChem CID 18287238) has the molecular formula C24H26ClN3O3 and a molecular weight of 439.94 g/mol. Its IUPAC name is propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
PubChem CID18287238
Molecular FormulaC24H26ClN3O3
Molecular Weight439.94 g/mol
Exact Mass439.17
IUPAC Namepropan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
SMILESCC(C)OC(=O)CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1Cl
InChIInChI=1S/C24H26ClN3O3/c1-17(2)31-24(30)14-22(20-10-6-7-11-21(20)25)27-23(29)13-12-18-15-26-28(16-18)19-8-4-3-5-9-19/h3-11,15-17,22H,12-14H2,1-2H3,(H,27,29)
InChIKeyAYHQDIXMAHUWHN-UHFFFAOYSA-N
XLogP4.66
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-chlorophenyl)-3-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]propanoate
CID 51336055
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
propan-2-yl 3-(2-chlorophenyl)-3-[3-(furan-2-yl)propanoylamino]propanoate
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N-[1-(2-chlorophenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 18146630
N-[(2S)-1-aminopropan-2-yl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 120507987
3-methyl-2-[3-(1-phenylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119212150
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CID 24516297
propan-2-yl 3-[(3-acetamido-3-phenylpropanoyl)amino]-3-(2-chlorophenyl)propanoate
CID 24516279
methyl 3-(2-chlorophenyl)-3-[3-(4-methoxyphenyl)propanoylamino]propanoate
CID 51256852
[2-[1-(3,4-dichlorophenyl)ethylamino]-2-oxoethyl] 3-(1-phenylpyrazol-4-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
The IUPAC name of propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate (CID 18287238) is propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate.
What is the SMILES notation for propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
The canonical SMILES for propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate is CC(C)OC(=O)CC(NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccccc1Cl.
What is the InChIKey of propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
The InChIKey is AYHQDIXMAHUWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O3/c1-17(2)31-24(30)14-22(20-10-6-7-11-21(20)25)27-23(29)13-12-18-15-26-28(16-18)19-8-4-3-5-9-19/h3-11,15-17,22H,12-14H2,1-2H3,(H,27,29).
What are the key properties of propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate?
propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate has a molecular weight of 439.94 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(2-chlorophenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate is sourced from PubChem (CID 18287238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).