N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide

C16H17N3O2 — CID 42110613

IUPACN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3o2)n(C(C)C)n1
InChIInChI=1S/C16H17N3O2/c1-10(2)19-15(8-11(3)18-19)17-16(20)14-9-12-6-4-5-7-13(12)21-14/h4-10H,1-3H3,(H,17,20)
InChIKeyNUKKEZBSAOKPJQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.77
Rot. Bonds3

About N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide

N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide (PubChem CID 42110613) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide
PubChem CID42110613
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide
SMILESCc1cc(NC(=O)c2cc3ccccc3o2)n(C(C)C)n1
InChIInChI=1S/C16H17N3O2/c1-10(2)19-15(8-11(3)18-19)17-16(20)14-9-12-6-4-5-7-13(12)21-14/h4-10H,1-3H3,(H,17,20)
InChIKeyNUKKEZBSAOKPJQ-UHFFFAOYSA-N
XLogP3.77
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide (CID 42110613) is N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide is Cc1cc(NC(=O)c2cc3ccccc3o2)n(C(C)C)n1.
What is the InChIKey of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
The InChIKey is NUKKEZBSAOKPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-10(2)19-15(8-11(3)18-19)17-16(20)14-9-12-6-4-5-7-13(12)21-14/h4-10H,1-3H3,(H,17,20).
What are the key properties of N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide?
N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 42110613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).