1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide

C22H24N4O3S — CID 56555905

IUPAC1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C22H24N4O3S/c1-3-29-18-9-5-4-7-15(18)22(28)26-12-6-8-17(26)21(27)23-20-13-16(24-25-20)19-11-10-14(2)30-19/h4-5,7,9-11,13,17H,3,6,8,12H2,1-2H3,(H2,23,24,25,27)
InChIKeyMEAOPVKSNGBAFK-UHFFFAOYSA-N
MW424.53 g/mol
LogP4.09
Rot. Bonds6

About 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide

1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide (PubChem CID 56555905) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
PubChem CID56555905
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide
SMILESCCOc1ccccc1C(=O)N1CCCC1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1
InChIInChI=1S/C22H24N4O3S/c1-3-29-18-9-5-4-7-15(18)22(28)26-12-6-8-17(26)21(27)23-20-13-16(24-25-20)19-11-10-14(2)30-19/h4-5,7,9-11,13,17H,3,6,8,12H2,1-2H3,(H2,23,24,25,27)
InChIKeyMEAOPVKSNGBAFK-UHFFFAOYSA-N
XLogP4.09
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethoxybenzoyl)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidine-2-carboxamide
CID 56508627
(2R)-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 28819596
1-(2-ethoxybenzoyl)-N-[4-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide
CID 55622753
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-propylsulfonylpiperidine-2-carboxamide
CID 56555581
N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide
CID 56555902
N-[(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 56576280
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2R)-N-[(2S)-1-(dimethylamino)-1-oxopropan-2-yl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 51953533
1-(2-ethoxybenzoyl)-N-[2-[ethyl(methyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 60592901
1-(2-ethoxybenzoyl)-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 136576678
1-(2-ethoxybenzoyl)-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidine-2-carboxamide
CID 138998505
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-(2-ethoxybenzoyl)pyrrolidine-2-carboxamide
CID 60604811

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide (CID 56555905) is 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide is CCOc1ccccc1C(=O)N1CCCC1C(=O)Nc1cc(-c2ccc(C)s2)[nH]n1.
What is the InChIKey of 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
The InChIKey is MEAOPVKSNGBAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-3-29-18-9-5-4-7-15(18)22(28)26-12-6-8-17(26)21(27)23-20-13-16(24-25-20)19-11-10-14(2)30-19/h4-5,7,9-11,13,17H,3,6,8,12H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide?
1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide has a molecular weight of 424.53 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxybenzoyl)-N-[5-(5-methylthiophen-2-yl)-1H-pyrazol-3-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56555905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).