5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C14H14ClN3O2 — CID 47059363

IUPAC5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H14ClN3O2/c1-8-10(7-17-18-8)6-16-14(19)13-5-9-4-11(15)2-3-12(9)20-13/h2-4,7,13H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyZUMANCRIZCRBPG-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.99
Rot. Bonds3

About 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 47059363) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID47059363
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1[nH]ncc1CNC(=O)C1Cc2cc(Cl)ccc2O1
InChIInChI=1S/C14H14ClN3O2/c1-8-10(7-17-18-8)6-16-14(19)13-5-9-4-11(15)2-3-12(9)20-13/h2-4,7,13H,5-6H2,1H3,(H,16,19)(H,17,18)
InChIKeyZUMANCRIZCRBPG-UHFFFAOYSA-N
XLogP1.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 47059363) is 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1[nH]ncc1CNC(=O)C1Cc2cc(Cl)ccc2O1.
What is the InChIKey of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZUMANCRIZCRBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c1-8-10(7-17-18-8)6-16-14(19)13-5-9-4-11(15)2-3-12(9)20-13/h2-4,7,13H,5-6H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 291.74 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 47059363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).