N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide

C17H16N4O3 — CID 9081256

IUPACN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(CNC(=O)c1ccc(-n2cccn2)cc1)NCc1ccco1
InChIInChI=1S/C17H16N4O3/c22-16(18-11-15-3-1-10-24-15)12-19-17(23)13-4-6-14(7-5-13)21-9-2-8-20-21/h1-10H,11-12H2,(H,18,22)(H,19,23)
InChIKeyNYQIEMZSAXVDID-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.51
Rot. Bonds6

About N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide

N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 9081256) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide
PubChem CID9081256
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide
SMILESO=C(CNC(=O)c1ccc(-n2cccn2)cc1)NCc1ccco1
InChIInChI=1S/C17H16N4O3/c22-16(18-11-15-3-1-10-24-15)12-19-17(23)13-4-6-14(7-5-13)21-9-2-8-20-21/h1-10H,11-12H2,(H,18,22)(H,19,23)
InChIKeyNYQIEMZSAXVDID-UHFFFAOYSA-N
XLogP1.51
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide (CID 9081256) is N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide is O=C(CNC(=O)c1ccc(-n2cccn2)cc1)NCc1ccco1.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is NYQIEMZSAXVDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c22-16(18-11-15-3-1-10-24-15)12-19-17(23)13-4-6-14(7-5-13)21-9-2-8-20-21/h1-10H,11-12H2,(H,18,22)(H,19,23).
What are the key properties of N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide?
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 324.34 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 9081256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).