5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide

C15H16N4O2 — CID 61113384

IUPAC5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H16N4O2/c1-8-14(9(2)19(3)18-8)17-15(20)13-7-10-6-11(16)4-5-12(10)21-13/h4-7H,16H2,1-3H3,(H,17,20)
InChIKeyYYPQLQPITCJOFU-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.62
Rot. Bonds2

About 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide

5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide (PubChem CID 61113384) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
PubChem CID61113384
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide
SMILESCc1nn(C)c(C)c1NC(=O)c1cc2cc(N)ccc2o1
InChIInChI=1S/C15H16N4O2/c1-8-14(9(2)19(3)18-8)17-15(20)13-7-10-6-11(16)4-5-12(10)21-13/h4-7H,16H2,1-3H3,(H,17,20)
InChIKeyYYPQLQPITCJOFU-UHFFFAOYSA-N
XLogP2.62
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzothiophene-2-carboxamide
CID 61113003
5-amino-2-chloro-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 61110943
5-amino-N-(5-methyl-2-pyridinyl)-1-benzofuran-2-carboxamide
CID 61093527
(5-methyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63327037
5-amino-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 61090937
5-amino-N-tert-butyl-1-benzofuran-2-carboxamide
CID 61092383
5-amino-2,4-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 102705170
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
1-(5-amino-1-benzofuran-2-yl)ethanone
CID 3783367
2,5-dimethyl-N-(1,3,5-trimethylpyrazol-4-yl)furan-3-carboxamide
CID 24655014
N-(1,3,5-trimethylpyrazol-4-yl)pyridine-4-carboxamide
CID 35283696
methyl 2-[(5-amino-1-benzofuran-2-carbonyl)amino]propanoate
CID 61496788

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide (CID 61113384) is 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide is Cc1nn(C)c(C)c1NC(=O)c1cc2cc(N)ccc2o1.
What is the InChIKey of 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
The InChIKey is YYPQLQPITCJOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-8-14(9(2)19(3)18-8)17-15(20)13-7-10-6-11(16)4-5-12(10)21-13/h4-7H,16H2,1-3H3,(H,17,20).
What are the key properties of 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide?
5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 61113384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).