4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

C20H21N3O2 — CID 86923847

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCc4occc43)cc2)n1
InChIInChI=1S/C20H21N3O2/c1-13-12-14(2)23(22-13)16-8-6-15(7-9-16)20(24)21-18-4-3-5-19-17(18)10-11-25-19/h6-12,18H,3-5H2,1-2H3,(H,21,24)
InChIKeyCANLIAVEOQDDGP-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.89
Rot. Bonds3

About 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide

4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (PubChem CID 86923847) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
PubChem CID86923847
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
SMILESCc1cc(C)n(-c2ccc(C(=O)NC3CCCc4occc43)cc2)n1
InChIInChI=1S/C20H21N3O2/c1-13-12-14(2)23(22-13)16-8-6-15(7-9-16)20(24)21-18-4-3-5-19-17(18)10-11-25-19/h6-12,18H,3-5H2,1-2H3,(H,21,24)
InChIKeyCANLIAVEOQDDGP-UHFFFAOYSA-N
XLogP3.89
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide (CID 86923847) is 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is Cc1cc(C)n(-c2ccc(C(=O)NC3CCCc4occc43)cc2)n1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
The InChIKey is CANLIAVEOQDDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-12-14(2)23(22-13)16-8-6-15(7-9-16)20(24)21-18-4-3-5-19-17(18)10-11-25-19/h6-12,18H,3-5H2,1-2H3,(H,21,24).
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide is sourced from PubChem (CID 86923847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).