N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide

C14H20N4O3 — CID 110017434

IUPACN-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
SMILESCc1ccc(C(C)Nc2cnn(CC(=O)NCCO)c2)o1
InChIInChI=1S/C14H20N4O3/c1-10-3-4-13(21-10)11(2)17-12-7-16-18(8-12)9-14(20)15-5-6-19/h3-4,7-8,11,17,19H,5-6,9H2,1-2H3,(H,15,20)
InChIKeyCYFJRALFYJBIGH-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.07
Rot. Bonds7

About N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide

N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide (PubChem CID 110017434) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
PubChem CID110017434
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC NameN-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide
SMILESCc1ccc(C(C)Nc2cnn(CC(=O)NCCO)c2)o1
InChIInChI=1S/C14H20N4O3/c1-10-3-4-13(21-10)11(2)17-12-7-16-18(8-12)9-14(20)15-5-6-19/h3-4,7-8,11,17,19H,5-6,9H2,1-2H3,(H,15,20)
InChIKeyCYFJRALFYJBIGH-UHFFFAOYSA-N
XLogP1.07
TPSA92.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide (CID 110017434) is N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide is Cc1ccc(C(C)Nc2cnn(CC(=O)NCCO)c2)o1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
The InChIKey is CYFJRALFYJBIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-3-4-13(21-10)11(2)17-12-7-16-18(8-12)9-14(20)15-5-6-19/h3-4,7-8,11,17,19H,5-6,9H2,1-2H3,(H,15,20).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide?
N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide has a molecular weight of 292.34 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[1-(5-methylfuran-2-yl)ethylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 110017434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).