5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide

C18H17N5O2 — CID 99823315

IUPAC5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C18H17N5O2/c1-22(9-10-23-8-4-7-20-23)18(24)14-12-19-21-17(14)16-11-13-5-2-3-6-15(13)25-16/h2-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyXITGCPLPXOKSEM-UHFFFAOYSA-N
MW335.37 g/mol
LogP2.79
Rot. Bonds5

About 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide

5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide (PubChem CID 99823315) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide
PubChem CID99823315
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide
SMILESCN(CCn1cccn1)C(=O)c1cn[nH]c1-c1cc2ccccc2o1
InChIInChI=1S/C18H17N5O2/c1-22(9-10-23-8-4-7-20-23)18(24)14-12-19-21-17(14)16-11-13-5-2-3-6-15(13)25-16/h2-8,11-12H,9-10H2,1H3,(H,19,21)
InChIKeyXITGCPLPXOKSEM-UHFFFAOYSA-N
XLogP2.79
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide (CID 99823315) is 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide is CN(CCn1cccn1)C(=O)c1cn[nH]c1-c1cc2ccccc2o1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is XITGCPLPXOKSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-22(9-10-23-8-4-7-20-23)18(24)14-12-19-21-17(14)16-11-13-5-2-3-6-15(13)25-16/h2-8,11-12H,9-10H2,1H3,(H,19,21).
What are the key properties of 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide?
5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 99823315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).