methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate

C19H18N4O5 — CID 19398212

IUPACmethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H18N4O5/c1-23-16(18(25)20-10-14-4-3-9-28-14)15(11-21-23)22-17(24)12-5-7-13(8-6-12)19(26)27-2/h3-9,11H,10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeySNNOYRGTKJIJBK-UHFFFAOYSA-N
MW382.38 g/mol
LogP1.98
Rot. Bonds6

About methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate

methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate (PubChem CID 19398212) has the molecular formula C19H18N4O5 and a molecular weight of 382.38 g/mol. Its IUPAC name is methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
PubChem CID19398212
Molecular FormulaC19H18N4O5
Molecular Weight382.38 g/mol
Exact Mass382.13
IUPAC Namemethyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cc1
InChIInChI=1S/C19H18N4O5/c1-23-16(18(25)20-10-14-4-3-9-28-14)15(11-21-23)22-17(24)12-5-7-13(8-6-12)19(26)27-2/h3-9,11H,10H2,1-2H3,(H,20,25)(H,22,24)
InChIKeySNNOYRGTKJIJBK-UHFFFAOYSA-N
XLogP1.98
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.38
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate with MolForge

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Related Compounds

N-(furan-2-ylmethyl)-4-[(4-methoxy-3-nitrobenzoyl)amino]-1-methylpyrazole-5-carboxamide
CID 19398087
2-[4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504711
methyl 4-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamoyl]benzoate
CID 17178254
4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19500316
4-[[3-(1,3-dioxoisoindol-2-yl)benzoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398057
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,2-trifluoroethoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398092
4-[[2-(4-bromopyrazol-1-yl)acetyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398223
5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazole-4-carboxylic acid
CID 19623698
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-5-carboxamide
CID 19398268
N-(furan-2-ylmethyl)-1-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19398075
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)pyridine-3-carbonyl]amino]benzoate
CID 109104940
1-[2-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19502280

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate (CID 19398212) is methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)Nc2cnn(C)c2C(=O)NCc2ccco2)cc1.
What is the InChIKey of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate?
The InChIKey is SNNOYRGTKJIJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O5/c1-23-16(18(25)20-10-14-4-3-9-28-14)15(11-21-23)22-17(24)12-5-7-13(8-6-12)19(26)27-2/h3-9,11H,10H2,1-2H3,(H,20,25)(H,22,24).
What are the key properties of methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate?
methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate has a molecular weight of 382.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]carbamoyl]benzoate is sourced from PubChem (CID 19398212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).