4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

C21H22N4O4 — CID 19459051

IUPAC4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C21H22N4O4/c1-22-21(27)19-17(11-25(2)24-19)23-20(26)18-9-8-16(29-18)12-28-15-7-6-13-4-3-5-14(13)10-15/h6-11H,3-5,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyJACIJDFTTPWMHL-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.69
Rot. Bonds6

About 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide

4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (PubChem CID 19459051) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
PubChem CID19459051
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC Name4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C21H22N4O4/c1-22-21(27)19-17(11-25(2)24-19)23-20(26)18-9-8-16(29-18)12-28-15-7-6-13-4-3-5-14(13)10-15/h6-11H,3-5,12H2,1-2H3,(H,22,27)(H,23,26)
InChIKeyJACIJDFTTPWMHL-UHFFFAOYSA-N
XLogP2.69
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide with MolForge

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Related Compounds

4-[[5-[(4-fluorophenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408918
4-[[5-[(4-butan-2-ylphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19450675
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 19458809
4-[[5-[(2-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19467688
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 34852480
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(3-methoxyphenyl)furan-2-carboxamide
CID 19458853
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 39853783
ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19459041
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459045
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 95749129
N-cycloheptyl-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 19458831
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
CID 3461178

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide (CID 19459051) is 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is CNC(=O)c1nn(C)cc1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
The InChIKey is JACIJDFTTPWMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-22-21(27)19-17(11-25(2)24-19)23-20(26)18-9-8-16(29-18)12-28-15-7-6-13-4-3-5-14(13)10-15/h6-11H,3-5,12H2,1-2H3,(H,22,27)(H,23,26).
What are the key properties of 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide?
4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide has a molecular weight of 394.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19459051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).