ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate

C19H20N4O3 — CID 55766227

IUPACethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-n3cccn3)c2)c1C
InChIInChI=1S/C19H20N4O3/c1-4-26-19(25)16-12(2)17(21-13(16)3)18(24)22-14-7-5-8-15(11-14)23-10-6-9-20-23/h5-11,21H,4H2,1-3H3,(H,22,24)
InChIKeyMNJBYEPHSWFUIH-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.25
Rot. Bonds5

About ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate

ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate (PubChem CID 55766227) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
PubChem CID55766227
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Nameethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-n3cccn3)c2)c1C
InChIInChI=1S/C19H20N4O3/c1-4-26-19(25)16-12(2)17(21-13(16)3)18(24)22-14-7-5-8-15(11-14)23-10-6-9-20-23/h5-11,21H,4H2,1-3H3,(H,22,24)
InChIKeyMNJBYEPHSWFUIH-UHFFFAOYSA-N
XLogP3.25
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(3-pyrazol-1-ylphenyl)carbamate
CID 61061847
ethyl 1-[3-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyrazole-3-carboxylate
CID 55873971
ethyl 5-[(4-fluorophenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 2094567
ethyl 5-[[1-(2-methoxyethyl)indol-5-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 51129932
2-O-ethyl 4-O-[2-(3-methylanilino)-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 7278728
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
diethyl 5-[(3-bromophenyl)carbamoyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate
CID 10342227
ethyl 2,4-dimethyl-5-(3-pyrazol-1-ylpropylcarbamoyl)-1H-pyrrole-3-carboxylate
CID 37393923
ethyl 5-[[2-[(3-bromophenyl)methyl]pyrazol-3-yl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 55776529
4-O-[2-(3-bromoanilino)-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
CID 16501900
ethyl 5-[(2-methoxycarbonylphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 18082478
ethyl 5-[[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 27902152

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate (CID 55766227) is ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate is CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-n3cccn3)c2)c1C.
What is the InChIKey of ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate?
The InChIKey is MNJBYEPHSWFUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-4-26-19(25)16-12(2)17(21-13(16)3)18(24)22-14-7-5-8-15(11-14)23-10-6-9-20-23/h5-11,21H,4H2,1-3H3,(H,22,24).
What are the key properties of ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate?
ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dimethyl-5-[(3-pyrazol-1-ylphenyl)carbamoyl]-1H-pyrrole-3-carboxylate is sourced from PubChem (CID 55766227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).