N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide

C16H15FN4O3 — CID 167850162

IUPACN-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide
SMILESCN(CCNC(=O)c1[nH]ncc1F)C(=O)c1ccc2ccoc2c1
InChIInChI=1S/C16H15FN4O3/c1-21(6-5-18-15(22)14-12(17)9-19-20-14)16(23)11-3-2-10-4-7-24-13(10)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,22)(H,19,20)
InChIKeyYXRBMTNGGPPLNT-UHFFFAOYSA-N
MW330.32 g/mol
LogP1.80
Rot. Bonds5

About N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide

N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide (PubChem CID 167850162) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide
PubChem CID167850162
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide
SMILESCN(CCNC(=O)c1[nH]ncc1F)C(=O)c1ccc2ccoc2c1
InChIInChI=1S/C16H15FN4O3/c1-21(6-5-18-15(22)14-12(17)9-19-20-14)16(23)11-3-2-10-4-7-24-13(10)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,22)(H,19,20)
InChIKeyYXRBMTNGGPPLNT-UHFFFAOYSA-N
XLogP1.80
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide (CID 167850162) is N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide is CN(CCNC(=O)c1[nH]ncc1F)C(=O)c1ccc2ccoc2c1.
What is the InChIKey of N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide?
The InChIKey is YXRBMTNGGPPLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-21(6-5-18-15(22)14-12(17)9-19-20-14)16(23)11-3-2-10-4-7-24-13(10)8-11/h2-4,7-9H,5-6H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide?
N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-benzofuran-6-carbonyl(methyl)amino]ethyl]-4-fluoro-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 167850162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).