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

C22H27N3O3 — CID 19454649

IUPACN-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)NC(C)c3ccnn3CC)o2)cc1
InChIInChI=1S/C22H27N3O3/c1-4-6-17-7-9-18(10-8-17)27-15-19-11-12-21(28-19)22(26)24-16(3)20-13-14-23-25(20)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,24,26)
InChIKeyWMVRCSSFNLFOTF-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.52
Rot. Bonds9

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

N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (PubChem CID 19454649) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
PubChem CID19454649
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC NameN-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
SMILESCCCc1ccc(OCc2ccc(C(=O)NC(C)c3ccnn3CC)o2)cc1
InChIInChI=1S/C22H27N3O3/c1-4-6-17-7-9-18(10-8-17)27-15-19-11-12-21(28-19)22(26)24-16(3)20-13-14-23-25(20)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,24,26)
InChIKeyWMVRCSSFNLFOTF-UHFFFAOYSA-N
XLogP4.52
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19415067
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414242
N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-5-[(4-propan-2-ylphenoxy)methyl]furan-2-carboxamide
CID 19448194
N-methyl-5-[(4-propylphenoxy)methyl]furan-2-carboxamide
CID 19454672
5-[(4-tert-butylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19452492
5-[(4-chloro-3-methylphenoxy)methyl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19417098
5-[[3,5-bis(difluoromethyl)pyrazol-1-yl]methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]furan-2-carboxamide
CID 19468136
N-[(2-ethylpyrazol-3-yl)methyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19294616
3-[(4-chlorophenoxy)methyl]-N-[1-(2-ethylpyrazol-3-yl)ethyl]benzamide
CID 19414975
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19462624
N-[1-(1-ethylpyrazol-3-yl)ethyl]-5-[(4-iodophenoxy)methyl]furan-2-carboxamide
CID 19446050
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-5-[(4-ethoxyphenoxy)methyl]furan-2-carboxamide
CID 19466841

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide (CID 19454649) is N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is CCCc1ccc(OCc2ccc(C(=O)NC(C)c3ccnn3CC)o2)cc1.
What is the InChIKey of N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
The InChIKey is WMVRCSSFNLFOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-4-6-17-7-9-18(10-8-17)27-15-19-11-12-21(28-19)22(26)24-16(3)20-13-14-23-25(20)5-2/h7-14,16H,4-6,15H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide?
N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.52, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethylpyrazol-3-yl)ethyl]-5-[(4-propylphenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 19454649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).