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

C13H13N3O2 — CID 113236962

IUPACN-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H13N3O2/c1-8-5-14-16-12(8)15-13(17)9-2-3-10-6-18-7-11(10)4-9/h2-5H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyAJGWEOGDAJZGAP-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.00
Rot. Bonds2

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

N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (PubChem CID 113236962) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
PubChem CID113236962
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide
SMILESCc1cn[nH]c1NC(=O)c1ccc2c(c1)COC2
InChIInChI=1S/C13H13N3O2/c1-8-5-14-16-12(8)15-13(17)9-2-3-10-6-18-7-11(10)4-9/h2-5H,6-7H2,1H3,(H2,14,15,16,17)
InChIKeyAJGWEOGDAJZGAP-UHFFFAOYSA-N
XLogP2.00
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide (CID 113236962) is N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is Cc1cn[nH]c1NC(=O)c1ccc2c(c1)COC2.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
The InChIKey is AJGWEOGDAJZGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-8-5-14-16-12(8)15-13(17)9-2-3-10-6-18-7-11(10)4-9/h2-5H,6-7H2,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide?
N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-1,3-dihydro-2-benzofuran-5-carboxamide is sourced from PubChem (CID 113236962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).