6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide

C25H29N5OS — CID 46384020

IUPAC6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
SMILESCCn1c(C(=O)NCCCN2CCCC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21
InChIInChI=1S/C25H29N5OS/c1-2-29-21(24(31)26-13-9-16-28-14-6-7-15-28)18-20-23(22-12-8-17-32-22)27-30(25(20)29)19-10-4-3-5-11-19/h3-5,8,10-12,17-18H,2,6-7,9,13-16H2,1H3,(H,26,31)
InChIKeyXXFHODZZIBVTRA-UHFFFAOYSA-N
MW447.61 g/mol
LogP4.79
Rot. Bonds8

About 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide

6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide (PubChem CID 46384020) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
PubChem CID46384020
Molecular FormulaC25H29N5OS
Molecular Weight447.61 g/mol
Exact Mass447.21
IUPAC Name6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
SMILESCCn1c(C(=O)NCCCN2CCCC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21
InChIInChI=1S/C25H29N5OS/c1-2-29-21(24(31)26-13-9-16-28-14-6-7-15-28)18-20-23(22-12-8-17-32-22)27-30(25(20)29)19-10-4-3-5-11-19/h3-5,8,10-12,17-18H,2,6-7,9,13-16H2,1H3,(H,26,31)
InChIKeyXXFHODZZIBVTRA-UHFFFAOYSA-N
XLogP4.79
TPSA55.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.79
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

6-methyl-1-phenyl-N-[(3R)-3-pyrrolidin-1-ylbutyl]-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 92895706
N-(1,3-benzodioxol-5-ylmethyl)-6-ethyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 46384010
N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 46384026
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 18135858
6-(3-phenylpropyl)-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-b]pyrrole-5-carboxamide
CID 7215376
[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone
CID 46384029
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
N-[3-(4-ethylpiperazin-1-yl)propyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 60553494
N-butyl-1-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3514814
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
5-ethyl-4-oxo-N-(3-pyrrolidin-1-ylpropyl)thieno[3,2-c]quinoline-2-carboxamide
CID 20865333
5-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78871175

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide (CID 46384020) is 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide is CCn1c(C(=O)NCCCN2CCCC2)cc2c(-c3cccs3)nn(-c3ccccc3)c21.
What is the InChIKey of 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
The InChIKey is XXFHODZZIBVTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS/c1-2-29-21(24(31)26-13-9-16-28-14-6-7-15-28)18-20-23(22-12-8-17-32-22)27-30(25(20)29)19-10-4-3-5-11-19/h3-5,8,10-12,17-18H,2,6-7,9,13-16H2,1H3,(H,26,31).
What are the key properties of 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide has a molecular weight of 447.61 g/mol, XLogP of 4.79, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 46384020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).