methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate

C20H21N3O4 — CID 31859236

IUPACmethyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)oc1C
InChIInChI=1S/C20H21N3O4/c1-14-18(20(25)26-3)10-17(27-14)13-22(2)19(24)9-15-11-21-23(12-15)16-7-5-4-6-8-16/h4-8,10-12H,9,13H2,1-3H3
InChIKeyIQDOTYGNUJKDRJ-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.76
Rot. Bonds6

About methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate

methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate (PubChem CID 31859236) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
PubChem CID31859236
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)oc1C
InChIInChI=1S/C20H21N3O4/c1-14-18(20(25)26-3)10-17(27-14)13-22(2)19(24)9-15-11-21-23(12-15)16-7-5-4-6-8-16/h4-8,10-12H,9,13H2,1-3H3
InChIKeyIQDOTYGNUJKDRJ-UHFFFAOYSA-N
XLogP2.76
TPSA77.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate with MolForge

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Related Compounds

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 17471481
methyl 5-[[[2-(4-acetamidophenyl)acetyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34483785
N-methyl-4-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzamide
CID 38744068
2-(5-chloro-2-methoxyphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 8962293
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 31031484
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-sulfanylacetamide
CID 122174227
methyl 2-methyl-5-[[methyl-[3-(4-oxocinnolin-1-yl)propanoyl]amino]methyl]furan-3-carboxylate
CID 134016311
methyl 2-methyl-5-[[methyl-[2-[(2-methylbenzoyl)amino]acetyl]amino]methyl]furan-3-carboxylate
CID 55462508
N-methyl-2-(2-methyl-1H-indol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]acetamide
CID 31960924
3-(3,4-dimethylphenoxy)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 47022940
methyl 2-methyl-5-[[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]methyl]furan-3-carboxylate
CID 34482863
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate?
The IUPAC name of methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate (CID 31859236) is methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)Cc2cnn(-c3ccccc3)c2)oc1C.
What is the InChIKey of methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate?
The InChIKey is IQDOTYGNUJKDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14-18(20(25)26-3)10-17(27-14)13-22(2)19(24)9-15-11-21-23(12-15)16-7-5-4-6-8-16/h4-8,10-12H,9,13H2,1-3H3.
What are the key properties of methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate?
methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-[[methyl-[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]furan-3-carboxylate is sourced from PubChem (CID 31859236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).