methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate

C22H24N4O5 — CID 55565942

IUPACmethyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)C1=NN(c2ccccc2)C(C(N)=O)C1)c1ccc(OC)cc1
InChIInChI=1S/C22H24N4O5/c1-30-16-10-8-14(9-11-16)17(13-20(27)31-2)24-22(29)18-12-19(21(23)28)26(25-18)15-6-4-3-5-7-15/h3-11,17,19H,12-13H2,1-2H3,(H2,23,28)(H,24,29)
InChIKeySEGNYDXTUWDPLG-UHFFFAOYSA-N
MW424.46 g/mol
LogP1.54
Rot. Bonds8

About methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate

methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate (PubChem CID 55565942) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate
PubChem CID55565942
Molecular FormulaC22H24N4O5
Molecular Weight424.46 g/mol
Exact Mass424.17
IUPAC Namemethyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate
SMILESCOC(=O)CC(NC(=O)C1=NN(c2ccccc2)C(C(N)=O)C1)c1ccc(OC)cc1
InChIInChI=1S/C22H24N4O5/c1-30-16-10-8-14(9-11-16)17(13-20(27)31-2)24-22(29)18-12-19(21(23)28)26(25-18)15-6-4-3-5-7-15/h3-11,17,19H,12-13H2,1-2H3,(H2,23,28)(H,24,29)
InChIKeySEGNYDXTUWDPLG-UHFFFAOYSA-N
XLogP1.54
TPSA123.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate with MolForge

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Related Compounds

(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51950985
5-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 134022863
methyl 3-anilino-3-(4-methoxyphenyl)propanoate
CID 146162562
(3S)-5-N-[2-(methylcarbamoyl)phenyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 39999608
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024
[(E)-but-2-enyl] 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56807951
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
methyl 3-(4-methoxyphenyl)-3-[3-(1-phenylpyrazol-4-yl)propanoylamino]propanoate
CID 134015732
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
methyl 3-[(2,3-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 134015725
methyl 3-[4-(4-methoxyphenoxy)butanoylamino]-3-phenylpropanoate
CID 46637530
methyl 3-[(5-methyl-1-phenyltriazole-4-carbonyl)amino]-3-phenylpropanoate
CID 47062002

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate?
The IUPAC name of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate (CID 55565942) is methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate.
What is the SMILES notation for methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate?
The canonical SMILES for methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate is COC(=O)CC(NC(=O)C1=NN(c2ccccc2)C(C(N)=O)C1)c1ccc(OC)cc1.
What is the InChIKey of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate?
The InChIKey is SEGNYDXTUWDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-30-16-10-8-14(9-11-16)17(13-20(27)31-2)24-22(29)18-12-19(21(23)28)26(25-18)15-6-4-3-5-7-15/h3-11,17,19H,12-13H2,1-2H3,(H2,23,28)(H,24,29).
What are the key properties of methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate?
methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate has a molecular weight of 424.46 g/mol, XLogP of 1.54, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carbonyl)amino]-3-(4-methoxyphenyl)propanoate is sourced from PubChem (CID 55565942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).