7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C17H18FN3O3 — CID 24818861

IUPAC7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)[nH]n1
InChIInChI=1S/C17H18FN3O3/c1-10-13-5-4-6-14(18)16(13)24-15(10)17(22)21(2)8-11-7-12(9-23-3)20-19-11/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyGGRIKSORTXKOCP-UHFFFAOYSA-N
MW331.35 g/mol
LogP3.02
Rot. Bonds5

About 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 24818861) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID24818861
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC Name7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)[nH]n1
InChIInChI=1S/C17H18FN3O3/c1-10-13-5-4-6-14(18)16(13)24-15(10)17(22)21(2)8-11-7-12(9-23-3)20-19-11/h4-7H,8-9H2,1-3H3,(H,19,20)
InChIKeyGGRIKSORTXKOCP-UHFFFAOYSA-N
XLogP3.02
TPSA71.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 24818861) is 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is COCc1cc(CN(C)C(=O)c2oc3c(F)cccc3c2C)[nH]n1.
What is the InChIKey of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is GGRIKSORTXKOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10-13-5-4-6-14(18)16(13)24-15(10)17(22)21(2)8-11-7-12(9-23-3)20-19-11/h4-7H,8-9H2,1-3H3,(H,19,20).
What are the key properties of 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24818861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).