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

C18H17N3O3 — CID 124611729

IUPAC(2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2[nH]nc(NC(=O)[C@@H]3Cc4ccccc4O3)c2C)o1
InChIInChI=1S/C18H17N3O3/c1-10-7-8-14(23-10)16-11(2)17(21-20-16)19-18(22)15-9-12-5-3-4-6-13(12)24-15/h3-8,15H,9H2,1-2H3,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyIRKNIPMHWAHZBH-HNNXBMFYSA-N
MW323.35 g/mol
LogP3.23
Rot. Bonds3

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

(2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 124611729) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID124611729
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name(2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCc1ccc(-c2[nH]nc(NC(=O)[C@@H]3Cc4ccccc4O3)c2C)o1
InChIInChI=1S/C18H17N3O3/c1-10-7-8-14(23-10)16-11(2)17(21-20-16)19-18(22)15-9-12-5-3-4-6-13(12)24-15/h3-8,15H,9H2,1-2H3,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyIRKNIPMHWAHZBH-HNNXBMFYSA-N
XLogP3.23
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 124611729) is (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is Cc1ccc(-c2[nH]nc(NC(=O)[C@@H]3Cc4ccccc4O3)c2C)o1.
What is the InChIKey of (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is IRKNIPMHWAHZBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-10-7-8-14(23-10)16-11(2)17(21-20-16)19-18(22)15-9-12-5-3-4-6-13(12)24-15/h3-8,15H,9H2,1-2H3,(H2,19,20,21,22)/t15-/m0/s1.
What are the key properties of (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-methyl-5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 124611729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).