methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

C20H21N3O5 — CID 78834055

IUPACmethyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2cn[nH]c2-c2ccc(OC)cc2)oc1C
InChIInChI=1S/C20H21N3O5/c1-12-16(20(25)27-4)9-15(28-12)11-23(2)19(24)17-10-21-22-18(17)13-5-7-14(26-3)8-6-13/h5-10H,11H2,1-4H3,(H,21,22)
InChIKeyRELLDVAMYQRWRA-UHFFFAOYSA-N
MW383.40 g/mol
LogP3.05
Rot. Bonds6

About methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate

methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate (PubChem CID 78834055) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
PubChem CID78834055
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
SMILESCOC(=O)c1cc(CN(C)C(=O)c2cn[nH]c2-c2ccc(OC)cc2)oc1C
InChIInChI=1S/C20H21N3O5/c1-12-16(20(25)27-4)9-15(28-12)11-23(2)19(24)17-10-21-22-18(17)13-5-7-14(26-3)8-6-13/h5-10H,11H2,1-4H3,(H,21,22)
InChIKeyRELLDVAMYQRWRA-UHFFFAOYSA-N
XLogP3.05
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate with MolForge

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Related Compounds

5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
methyl 5-[[(2,5-dimethylfuran-3-carbonyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 34484533
5-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 78834249
methyl 5-[[(2-fluorobenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31711214
methyl 2-methyl-5-[[methyl-[4-(trifluoromethoxy)benzoyl]amino]methyl]furan-3-carboxylate
CID 34481720
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 56545761
N-(3-amino-2,2-dimethylpropyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119653733
methyl 2-methyl-5-[[methyl-(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]furan-3-carboxylate
CID 34484891
N-(3-amino-4-methylpentyl)-5-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119658474
methyl 5-[[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 9222565
methyl 2-methyl-5-[[methyl-(3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]methyl]furan-3-carboxylate
CID 30778475
methyl 5-[[(3-chloro-4-hydroxybenzoyl)-methylamino]methyl]-2-methylfuran-3-carboxylate
CID 31710740

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The IUPAC name of methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate (CID 78834055) is methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate.
What is the SMILES notation for methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The canonical SMILES for methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate is COC(=O)c1cc(CN(C)C(=O)c2cn[nH]c2-c2ccc(OC)cc2)oc1C.
What is the InChIKey of methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
The InChIKey is RELLDVAMYQRWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-12-16(20(25)27-4)9-15(28-12)11-23(2)19(24)17-10-21-22-18(17)13-5-7-14(26-3)8-6-13/h5-10H,11H2,1-4H3,(H,21,22).
What are the key properties of methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate?
methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[[5-(4-methoxyphenyl)-1H-pyrazole-4-carbonyl]-methylamino]methyl]-2-methylfuran-3-carboxylate is sourced from PubChem (CID 78834055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).