1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide

C19H16ClN3O2 — CID 38588800

IUPAC1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-17-4-2-1-3-14(17)11-23-12-15(10-21-23)19(24)22-16-5-6-18-13(9-16)7-8-25-18/h1-6,9-10,12H,7-8,11H2,(H,22,24)
InChIKeyDCPMJVOOPNJZOZ-UHFFFAOYSA-N
MW353.81 g/mol
LogP3.77
Rot. Bonds4

About 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide

1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide (PubChem CID 38588800) has the molecular formula C19H16ClN3O2 and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
PubChem CID38588800
Molecular FormulaC19H16ClN3O2
Molecular Weight353.81 g/mol
Exact Mass353.09
IUPAC Name1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCO2)c1cnn(Cc2ccccc2Cl)c1
InChIInChI=1S/C19H16ClN3O2/c20-17-4-2-1-3-14(17)11-23-12-15(10-21-23)19(24)22-16-5-6-18-13(9-16)7-8-25-18/h1-6,9-10,12H,7-8,11H2,(H,22,24)
InChIKeyDCPMJVOOPNJZOZ-UHFFFAOYSA-N
XLogP3.77
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)pyrazole-4-carboxamide
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1-[(2-chlorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]pyrazole-4-carboxamide
CID 110882308
1-[(2-chlorophenyl)methyl]-N-[3-(methylcarbamoyl)phenyl]pyrazole-4-carboxamide
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1-[(2-chlorophenyl)methyl]-N-[4-(2,2-dimethylpropanoylamino)phenyl]pyrazole-4-carboxamide
CID 24641718
N-[4-chloro-3-(cyclohexylcarbamoyl)phenyl]-1-[(2-chlorophenyl)methyl]pyrazole-4-carboxamide
CID 55906262
1-[(2-chlorophenyl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrazole-4-carboxamide
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CID 18132090
1-[(2-chlorophenyl)methyl]-N-(3-cyclopentylsulfonylphenyl)pyrazole-4-carboxamide
CID 55612679
1-benzyl-N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)pyrazole-4-carboxamide
CID 46451156
1-[(2-chlorophenyl)methyl]-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]pyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide (CID 38588800) is 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide is O=C(Nc1ccc2c(c1)CCO2)c1cnn(Cc2ccccc2Cl)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide?
The InChIKey is DCPMJVOOPNJZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2/c20-17-4-2-1-3-14(17)11-23-12-15(10-21-23)19(24)22-16-5-6-18-13(9-16)7-8-25-18/h1-6,9-10,12H,7-8,11H2,(H,22,24).
What are the key properties of 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide?
1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide has a molecular weight of 353.81 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-N-(2,3-dihydro-1-benzofuran-5-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 38588800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).