ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate

C22H23N3O5 — CID 19459041

IUPACethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H23N3O5/c1-3-28-22(27)18-12-23-25(2)20(18)24-21(26)19-10-9-17(30-19)13-29-16-8-7-14-5-4-6-15(14)11-16/h7-12H,3-6,13H2,1-2H3,(H,24,26)
InChIKeyBYZHXPHZHWRYTD-UHFFFAOYSA-N
MW409.44 g/mol
LogP3.51
Rot. Bonds7

About ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate

ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate (PubChem CID 19459041) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
PubChem CID19459041
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Nameethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(C)c1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1
InChIInChI=1S/C22H23N3O5/c1-3-28-22(27)18-12-23-25(2)20(18)24-21(26)19-10-9-17(30-19)13-29-16-8-7-14-5-4-6-15(14)11-16/h7-12H,3-6,13H2,1-2H3,(H,24,26)
InChIKeyBYZHXPHZHWRYTD-UHFFFAOYSA-N
XLogP3.51
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate with MolForge

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Related Compounds

ethyl 1-methyl-5-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]pyrazole-4-carboxylate
CID 19461156
ethyl 5-[[5-[(4-acetylphenoxy)methyl]furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19455347
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19459045
ethyl 2-[2-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 19458910
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-pyridin-3-ylfuran-2-carboxamide
CID 39853783
N-[1-(cyclopropylmethyl)pyrazol-4-yl]-5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carboxamide
CID 95749129
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-[(4-methylphenyl)methoxy]furan-2-carboxamide
CID 3461178
5-(2,3-dihydro-1H-inden-5-yloxymethyl)-N-(2-hydroxyphenyl)furan-2-carboxamide
CID 19458809
ethyl 5-[[5-[(4-bromophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19413508
4-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19459051
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-(2,5-dimethoxyphenyl)furan-2-carboxamide
CID 34852480

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate (CID 19459041) is ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(C)c1NC(=O)c1ccc(COc2ccc3c(c2)CCC3)o1.
What is the InChIKey of ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
The InChIKey is BYZHXPHZHWRYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-3-28-22(27)18-12-23-25(2)20(18)24-21(26)19-10-9-17(30-19)13-29-16-8-7-14-5-4-6-15(14)11-16/h7-12H,3-6,13H2,1-2H3,(H,24,26).
What are the key properties of ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate?
ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate has a molecular weight of 409.44 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[[5-(2,3-dihydro-1H-inden-5-yloxymethyl)furan-2-carbonyl]amino]-1-methylpyrazole-4-carboxylate is sourced from PubChem (CID 19459041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).