N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide

C24H20N4OS — CID 46384026

IUPACN-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2)cc2c(-c3cccs3)nn(-c3ccccc3)c21
InChIInChI=1S/C24H20N4OS/c1-27-20(23(29)25-16-17-9-4-2-5-10-17)15-19-22(21-13-8-14-30-21)26-28(24(19)27)18-11-6-3-7-12-18/h2-15H,16H2,1H3,(H,25,29)
InChIKeyGZPBFELQIZPLBC-UHFFFAOYSA-N
MW412.52 g/mol
LogP5.02
Rot. Bonds5

About N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide

N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide (PubChem CID 46384026) has the molecular formula C24H20N4OS and a molecular weight of 412.52 g/mol. Its IUPAC name is N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
PubChem CID46384026
Molecular FormulaC24H20N4OS
Molecular Weight412.52 g/mol
Exact Mass412.14
IUPAC NameN-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
SMILESCn1c(C(=O)NCc2ccccc2)cc2c(-c3cccs3)nn(-c3ccccc3)c21
InChIInChI=1S/C24H20N4OS/c1-27-20(23(29)25-16-17-9-4-2-5-10-17)15-19-22(21-13-8-14-30-21)26-28(24(19)27)18-11-6-3-7-12-18/h2-15H,16H2,1H3,(H,25,29)
InChIKeyGZPBFELQIZPLBC-UHFFFAOYSA-N
XLogP5.02
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.52
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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
6-ethyl-1-phenyl-N-(3-pyrrolidin-1-ylpropyl)-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide
CID 46384020
1-phenyl-6-prop-2-enyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxylic acid
CID 38997207
[4-(3-methoxyphenyl)piperazin-1-yl]-(6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazol-5-yl)methanone
CID 46384029
N-(naphthalen-1-ylmethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 10341461
1-benzyl-N-[(4-methoxyphenyl)methyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9208106
2-phenyl-4-thiophen-2-ylphthalazin-1-one
CID 4053882
N-benzyl-4-thiophen-2-ylthiadiazole-5-carboxamide
CID 100751617
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
(Z)-N-benzyl-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2176598
N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 55846248

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
The IUPAC name of N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide (CID 46384026) is N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide.
What is the SMILES notation for N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
The canonical SMILES for N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide is Cn1c(C(=O)NCc2ccccc2)cc2c(-c3cccs3)nn(-c3ccccc3)c21.
What is the InChIKey of N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
The InChIKey is GZPBFELQIZPLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4OS/c1-27-20(23(29)25-16-17-9-4-2-5-10-17)15-19-22(21-13-8-14-30-21)26-28(24(19)27)18-11-6-3-7-12-18/h2-15H,16H2,1H3,(H,25,29).
What are the key properties of N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide?
N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-methyl-1-phenyl-3-thiophen-2-ylpyrrolo[3,2-d]pyrazole-5-carboxamide is sourced from PubChem (CID 46384026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).