6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide

C17H14N4O2S — CID 154057779

IUPAC6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2C(=O)c2c-3ccc(N)c2C(N)=O)c(C)s1
InChIInChI=1S/C17H14N4O2S/c1-6-5-9(7(2)24-6)15-13-14(20-21-15)8-3-4-10(18)12(17(19)23)11(8)16(13)22/h3-5H,18H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyPHPXPFSPRXLGRU-UHFFFAOYSA-N
MW338.39 g/mol
LogP2.65
Rot. Bonds2

About 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide

6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide (PubChem CID 154057779) has the molecular formula C17H14N4O2S and a molecular weight of 338.39 g/mol. Its IUPAC name is 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide.

Molecular Properties

Compound Name6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
PubChem CID154057779
Molecular FormulaC17H14N4O2S
Molecular Weight338.39 g/mol
Exact Mass338.08
IUPAC Name6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide
SMILESCc1cc(-c2n[nH]c3c2C(=O)c2c-3ccc(N)c2C(N)=O)c(C)s1
InChIInChI=1S/C17H14N4O2S/c1-6-5-9(7(2)24-6)15-13-14(20-21-15)8-3-4-10(18)12(17(19)23)11(8)16(13)22/h3-5H,18H2,1-2H3,(H2,19,23)(H,20,21)
InChIKeyPHPXPFSPRXLGRU-UHFFFAOYSA-N
XLogP2.65
TPSA114.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
The IUPAC name of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide (CID 154057779) is 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide.
What is the SMILES notation for 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
The canonical SMILES for 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide is Cc1cc(-c2n[nH]c3c2C(=O)c2c-3ccc(N)c2C(N)=O)c(C)s1.
What is the InChIKey of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
The InChIKey is PHPXPFSPRXLGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2S/c1-6-5-9(7(2)24-6)15-13-14(20-21-15)8-3-4-10(18)12(17(19)23)11(8)16(13)22/h3-5H,18H2,1-2H3,(H2,19,23)(H,20,21).
What are the key properties of 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide?
6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.65, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazole-5-carboxamide is sourced from PubChem (CID 154057779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).