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

C19H20N4O4S — CID 30865626

IUPACN-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCc1ccco1
InChIInChI=1S/C19H20N4O4S/c24-18(20-12-14-3-1-7-27-14)13-23-16(17-4-2-10-28-17)11-15(21-23)19(25)22-5-8-26-9-6-22/h1-4,7,10-11H,5-6,8-9,12-13H2,(H,20,24)
InChIKeyGYUZHCFSQXMKEE-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.99
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide (PubChem CID 30865626) has the molecular formula C19H20N4O4S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
PubChem CID30865626
Molecular FormulaC19H20N4O4S
Molecular Weight400.46 g/mol
Exact Mass400.12
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCc1ccco1
InChIInChI=1S/C19H20N4O4S/c24-18(20-12-14-3-1-7-27-14)13-23-16(17-4-2-10-28-17)11-15(21-23)19(25)22-5-8-26-9-6-22/h1-4,7,10-11H,5-6,8-9,12-13H2,(H,20,24)
InChIKeyGYUZHCFSQXMKEE-UHFFFAOYSA-N
XLogP1.99
TPSA89.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.99
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-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide (CID 30865626) is N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide is O=C(Cn1nc(C(=O)N2CCOCC2)cc1-c1cccs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
The InChIKey is GYUZHCFSQXMKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4S/c24-18(20-12-14-3-1-7-27-14)13-23-16(17-4-2-10-28-17)11-15(21-23)19(25)22-5-8-26-9-6-22/h1-4,7,10-11H,5-6,8-9,12-13H2,(H,20,24).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 1.99, 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-(morpholine-4-carbonyl)-5-thiophen-2-ylpyrazol-1-yl]acetamide is sourced from PubChem (CID 30865626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).