5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide

C24H25N5O4 — CID 19340351

IUPAC5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3ccc(COc4ccc(C(C)=O)cc4)o3)cn2)c1C
InChIInChI=1S/C24H25N5O4/c1-4-29-16(2)19(11-26-29)13-28-14-20(12-25-28)27-24(31)23-10-9-22(33-23)15-32-21-7-5-18(6-8-21)17(3)30/h5-12,14H,4,13,15H2,1-3H3,(H,27,31)
InChIKeyQQNBQOWBERKVIH-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.08
Rot. Bonds9

About 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide

5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 19340351) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID19340351
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCCn1ncc(Cn2cc(NC(=O)c3ccc(COc4ccc(C(C)=O)cc4)o3)cn2)c1C
InChIInChI=1S/C24H25N5O4/c1-4-29-16(2)19(11-26-29)13-28-14-20(12-25-28)27-24(31)23-10-9-22(33-23)15-32-21-7-5-18(6-8-21)17(3)30/h5-12,14H,4,13,15H2,1-3H3,(H,27,31)
InChIKeyQQNBQOWBERKVIH-UHFFFAOYSA-N
XLogP4.08
TPSA104.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 19414278
5-[(4-acetylphenoxy)methyl]-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19346867
4-ethyl-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340392
4-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N,N-dimethylpyrazole-5-carboxamide
CID 19339915
5-[(4-ethylphenoxy)methyl]-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]furan-2-carboxamide
CID 19397913
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19403922
5-[(3,4-dimethylphenoxy)methyl]-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19450787
N-[1-(ethoxymethyl)pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19340567
methyl 4-[[5-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19449147
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19346343
N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]-5-[(4-nitrophenoxy)methyl]furan-2-carboxamide
CID 19340087
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019

Frequently Asked Questions

What is the IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide (CID 19340351) is 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide is CCn1ncc(Cn2cc(NC(=O)c3ccc(COc4ccc(C(C)=O)cc4)o3)cn2)c1C.
What is the InChIKey of 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is QQNBQOWBERKVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-4-29-16(2)19(11-26-29)13-28-14-20(12-25-28)27-24(31)23-10-9-22(33-23)15-32-21-7-5-18(6-8-21)17(3)30/h5-12,14H,4,13,15H2,1-3H3,(H,27,31).
What are the key properties of 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide?
5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 447.50 g/mol, XLogP of 4.08, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-acetylphenoxy)methyl]-N-[1-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19340351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).