N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide

C20H23N5O3S — CID 30865720

IUPACN-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
SMILESCN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)NCc3ccco3)n2)CC1
InChIInChI=1S/C20H23N5O3S/c1-23-6-8-24(9-7-23)20(27)16-12-17(18-5-3-11-29-18)25(22-16)14-19(26)21-13-15-4-2-10-28-15/h2-5,10-12H,6-9,13-14H2,1H3,(H,21,26)
InChIKeyFHZOKBABGZGSNI-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.91
Rot. Bonds6

About N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide

N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide (PubChem CID 30865720) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
PubChem CID30865720
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
SMILESCN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)NCc3ccco3)n2)CC1
InChIInChI=1S/C20H23N5O3S/c1-23-6-8-24(9-7-23)20(27)16-12-17(18-5-3-11-29-18)25(22-16)14-19(26)21-13-15-4-2-10-28-15/h2-5,10-12H,6-9,13-14H2,1H3,(H,21,26)
InChIKeyFHZOKBABGZGSNI-UHFFFAOYSA-N
XLogP1.91
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide (CID 30865720) is N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide is CN1CCN(C(=O)c2cc(-c3cccs3)n(CC(=O)NCc3ccco3)n2)CC1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The InChIKey is FHZOKBABGZGSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-23-6-8-24(9-7-23)20(27)16-12-17(18-5-3-11-29-18)25(22-16)14-19(26)21-13-15-4-2-10-28-15/h2-5,10-12H,6-9,13-14H2,1H3,(H,21,26).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide has a molecular weight of 413.50 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(4-methylpiperazine-1-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 30865720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).