3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide

C20H17N3O2 — CID 976452

IUPAC3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O2/c1-22(2)20(24)16-13-23(15-9-4-3-5-10-15)21-19(16)18-12-14-8-6-7-11-17(14)25-18/h3-13H,1-2H3
InChIKeyITXUEYLTGAOXHC-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.99
Rot. Bonds3

About 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide

3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 976452) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID976452
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide
SMILESCN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1
InChIInChI=1S/C20H17N3O2/c1-22(2)20(24)16-13-23(15-9-4-3-5-10-15)21-19(16)18-12-14-8-6-7-11-17(14)25-18/h3-13H,1-2H3
InChIKeyITXUEYLTGAOXHC-UHFFFAOYSA-N
XLogP3.99
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide (CID 976452) is 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide is CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is ITXUEYLTGAOXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-22(2)20(24)16-13-23(15-9-4-3-5-10-15)21-19(16)18-12-14-8-6-7-11-17(14)25-18/h3-13H,1-2H3.
What are the key properties of 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide?
3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 331.38 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N,N-dimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 976452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).