1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide

C20H16ClN3O2 — CID 25002355

IUPAC1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12
InChIInChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25)
InChIKeyDXRJIOGOJQYDLW-UHFFFAOYSA-N
MW365.82 g/mol
LogP4.41
Rot. Bonds4

About 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide

1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide (PubChem CID 25002355) has the molecular formula C20H16ClN3O2 and a molecular weight of 365.82 g/mol. Its IUPAC name is 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
PubChem CID25002355
Molecular FormulaC20H16ClN3O2
Molecular Weight365.82 g/mol
Exact Mass365.09
IUPAC Name1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12
InChIInChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25)
InChIKeyDXRJIOGOJQYDLW-UHFFFAOYSA-N
XLogP4.41
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.82
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-{[5-chloro-2-(1-methylethyl)-1-benzofuran-7-yl]methyl}-5-methyl-1H-pyrazole-3-carboxylic acid
CID 24784836
1-{[5-chloro-2-(1-methylethyl)-1-benzofuran-7-yl]methyl}-5-methyl-N-[trans-4-(methyloxy)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 24783314
1-{[5-Chloro-2-(1-methylethyl)-1-benzofuran-7-yl]methyl}-5-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide
CID 24784839
1-{[5-Chloro-2-(1-methylethyl)-1-benzofuran-7-yl]methyl}-5-methyl-N-4-morpholinyl-1H-pyrazole-3-carboxamide
CID 24784840
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-[4-(methylaminomethyl)phenyl]pyrazole-3-carboxamide
CID 24785079
1-[(5-chloro-2-propyl-1-benzofuran-7-yl)methyl]-5-methyl-1H-pyrazole-3-carboxylic Acid
CID 24785588
1-[(5-Chloro-2-cyclopropyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 24785591
1-[(5-Chloro-2-cyclohexyl-1-benzofuran-7-yl)methyl]-5-methyl-1H-pyrazole-3-carboxylic Acid
CID 24785594
1-[(2-Tert-butyl-5-chloro-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 24785595
1-[(5-chloro-2-propan-2-yl-1-benzofuran-7-yl)methyl]-5-methyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 24785862
1-[(5-Chloro-2-phenyl-1-benzofuran-7-yl)methyl]-N-(1,1-dimethylethyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 25002703
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-3-carboxamide
CID 25005134

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide (CID 25002355) is 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(N)=O)nn1Cc1cc(Cl)cc2cc(-c3ccccc3)oc12.
What is the InChIKey of 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is DXRJIOGOJQYDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3O2/c1-12-7-17(20(22)25)23-24(12)11-15-9-16(21)8-14-10-18(26-19(14)15)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H2,22,25).
What are the key properties of 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide?
1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 365.82 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-phenyl-1-benzofuran-7-yl)methyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 25002355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).