N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

C26H30N4O2S — CID 20856272

IUPACN-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1)c1cccc(C)c1
InChIInChI=1S/C26H30N4O2S/c1-5-30(20-11-6-9-18(2)15-20)14-8-13-27-25(31)23-17-22-24(28-29(3)26(22)33-23)19-10-7-12-21(16-19)32-4/h6-7,9-12,15-17H,5,8,13-14H2,1-4H3,(H,27,31)
InChIKeyJWOKERDELXORSV-UHFFFAOYSA-N
MW462.62 g/mol
LogP5.27
Rot. Bonds9

About N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide

N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (PubChem CID 20856272) has the molecular formula C26H30N4O2S and a molecular weight of 462.62 g/mol. Its IUPAC name is N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
PubChem CID20856272
Molecular FormulaC26H30N4O2S
Molecular Weight462.62 g/mol
Exact Mass462.21
IUPAC NameN-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
SMILESCCN(CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1)c1cccc(C)c1
InChIInChI=1S/C26H30N4O2S/c1-5-30(20-11-6-9-18(2)15-20)14-8-13-27-25(31)23-17-22-24(28-29(3)26(22)33-23)19-10-7-12-21(16-19)32-4/h6-7,9-12,15-17H,5,8,13-14H2,1-4H3,(H,27,31)
InChIKeyJWOKERDELXORSV-UHFFFAOYSA-N
XLogP5.27
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.62
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 92661763
ethyl 3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxylate
CID 3482605
N-[3-(diethylamino)propyl]-3-(3,4-dimethoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856332
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856297
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856266
ethyl 4-[3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carbonyl]piperazine-1-carboxylate
CID 24761204
N-(5-chloro-2,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856247
N-[3-(N-ethyl-3-methylanilino)propyl]-3-(4-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4670306
N-[3-(N-ethylanilino)propyl]-3-(3-methoxyphenyl)-4-oxophthalazine-1-carboxamide
CID 4090836
N-[2-[3-(N-ethyl-3-methylanilino)propylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 5127937
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methoxy-2-nitrobenzamide
CID 52754815
N-[3-(N-ethylanilino)propyl]-2-(3-methoxyphenyl)acetamide
CID 18118732

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide (CID 20856272) is N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is CCN(CCCNC(=O)c1cc2c(-c3cccc(OC)c3)nn(C)c2s1)c1cccc(C)c1.
What is the InChIKey of N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
The InChIKey is JWOKERDELXORSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2S/c1-5-30(20-11-6-9-18(2)15-20)14-8-13-27-25(31)23-17-22-24(28-29(3)26(22)33-23)19-10-7-12-21(16-19)32-4/h6-7,9-12,15-17H,5,8,13-14H2,1-4H3,(H,27,31).
What are the key properties of N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide?
N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide has a molecular weight of 462.62 g/mol, XLogP of 5.27, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethyl-3-methylanilino)propyl]-3-(3-methoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 20856272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).