N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

C20H23N3O4 — CID 19462624

IUPACN-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(OC)cc3)o2)n1
InChIInChI=1S/C20H23N3O4/c1-4-23-12-11-18(22-23)14(2)21-20(24)19-10-9-17(27-19)13-26-16-7-5-15(25-3)6-8-16/h5-12,14H,4,13H2,1-3H3,(H,21,24)
InChIKeyWMZPWOFOULWOKY-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.57
Rot. Bonds8

About N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide

N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (PubChem CID 19462624) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
PubChem CID19462624
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC NameN-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
SMILESCCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(OC)cc3)o2)n1
InChIInChI=1S/C20H23N3O4/c1-4-23-12-11-18(22-23)14(2)21-20(24)19-10-9-17(27-19)13-26-16-7-5-15(25-3)6-8-16/h5-12,14H,4,13H2,1-3H3,(H,21,24)
InChIKeyWMZPWOFOULWOKY-UHFFFAOYSA-N
XLogP3.57
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide (CID 19462624) is N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is CCn1ccc(C(C)NC(=O)c2ccc(COc3ccc(OC)cc3)o2)n1.
What is the InChIKey of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
The InChIKey is WMZPWOFOULWOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-4-23-12-11-18(22-23)14(2)21-20(24)19-10-9-17(27-19)13-26-16-7-5-15(25-3)6-8-16/h5-12,14H,4,13H2,1-3H3,(H,21,24).
What are the key properties of N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide?
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19462624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).