propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate

C22H23N3O4 — CID 112803711

IUPACpropan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1nn(-c2ccccc2)cc1O)c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-15(2)29-20(27)13-18(16-9-5-3-6-10-16)23-22(28)21-19(26)14-25(24-21)17-11-7-4-8-12-17/h3-12,14-15,18,26H,13H2,1-2H3,(H,23,28)
InChIKeyGIFVINAZFGRWAM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.39
Rot. Bonds7

About propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate

propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate (PubChem CID 112803711) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namepropan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate
PubChem CID112803711
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namepropan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate
SMILESCC(C)OC(=O)CC(NC(=O)c1nn(-c2ccccc2)cc1O)c1ccccc1
InChIInChI=1S/C22H23N3O4/c1-15(2)29-20(27)13-18(16-9-5-3-6-10-16)23-22(28)21-19(26)14-25(24-21)17-11-7-4-8-12-17/h3-12,14-15,18,26H,13H2,1-2H3,(H,23,28)
InChIKeyGIFVINAZFGRWAM-UHFFFAOYSA-N
XLogP3.39
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propan-2-yl 3-phenyl-3-[(4-pyrazol-1-ylbenzoyl)amino]propanoate
CID 46637677
propan-2-yl 3-phenyl-3-[[4-(1,2,4-triazol-1-yl)benzoyl]amino]propanoate
CID 51256987
(3S)-3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-(2-methylphenyl)propanoic acid
CID 71458888
N-[furan-2-yl(phenyl)methyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798255
propan-2-yl 3-[3-(2-hydroxyphenyl)propanoylamino]-3-phenylpropanoate
CID 43035542
propan-2-yl (3S)-3-phenyl-3-(3-pyrazol-1-ylpropanoylamino)propanoate
CID 94194144
propan-2-yl 3-[(2-aminoacetyl)amino]-3-phenylpropanoate;hydrochloride
CID 119274327
propan-2-yl (3R)-3-[3-(benzimidazol-1-yl)propanoylamino]-3-phenylpropanoate
CID 39168946
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798191
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-4-hydroxy-1-phenylpyrazole-3-carboxamide
CID 112798327
propan-2-yl 3-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]-3-phenylpropanoate
CID 46552530
propan-2-yl 3-[(3-methylthiophene-2-carbonyl)amino]-3-phenylpropanoate
CID 46657556

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate (CID 112803711) is propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate is CC(C)OC(=O)CC(NC(=O)c1nn(-c2ccccc2)cc1O)c1ccccc1.
What is the InChIKey of propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is GIFVINAZFGRWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-15(2)29-20(27)13-18(16-9-5-3-6-10-16)23-22(28)21-19(26)14-25(24-21)17-11-7-4-8-12-17/h3-12,14-15,18,26H,13H2,1-2H3,(H,23,28).
What are the key properties of propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate?
propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 393.44 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[(4-hydroxy-1-phenylpyrazole-3-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 112803711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).