(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

C19H18N4O4 — CID 51934163

IUPAC(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C19H18N4O4/c1-12(24)21-13-7-9-15(10-8-13)27-19(26)16-11-17(18(20)25)23(22-16)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H2,20,25)(H,21,24)/t17-/m1/s1
InChIKeyBFUAXKKFBRDNCK-QGZVFWFLSA-N
MW366.38 g/mol
LogP1.67
Rot. Bonds5

About (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate

(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (PubChem CID 51934163) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.

Molecular Properties

Compound Name(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
PubChem CID51934163
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
SMILESCC(=O)Nc1ccc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1
InChIInChI=1S/C19H18N4O4/c1-12(24)21-13-7-9-15(10-8-13)27-19(26)16-11-17(18(20)25)23(22-16)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H2,20,25)(H,21,24)/t17-/m1/s1
InChIKeyBFUAXKKFBRDNCK-QGZVFWFLSA-N
XLogP1.67
TPSA114.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 95597362
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
5-N-(6-methoxy-3-pyridinyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 46548689
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
[(Z)-but-2-enyl] (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 96538553
cycloheptyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 91641460
cyclohexyl 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 55561698
ethyl 3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 56508018
(3R)-2-phenyl-5-N-[(1R)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51950985
[2-[(2-methyl-1,3-dioxoisoindol-5-yl)amino]-2-oxoethyl] 3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 55568177
(3S)-5-N-(2-phenoxyethyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 32935230

Frequently Asked Questions

What is the IUPAC name of (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The IUPAC name of (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate (CID 51934163) is (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate.
What is the SMILES notation for (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The canonical SMILES for (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is CC(=O)Nc1ccc(OC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)cc1.
What is the InChIKey of (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
The InChIKey is BFUAXKKFBRDNCK-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-12(24)21-13-7-9-15(10-8-13)27-19(26)16-11-17(18(20)25)23(22-16)14-5-3-2-4-6-14/h2-10,17H,11H2,1H3,(H2,20,25)(H,21,24)/t17-/m1/s1.
What are the key properties of (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate?
(4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate has a molecular weight of 366.38 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetamidophenyl) (3R)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate is sourced from PubChem (CID 51934163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).