5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid

C14H17N3O4 — CID 119245798

IUPAC5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCCn1nc(C)c(C(=O)NCc2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C14H17N3O4/c1-4-17-9(3)12(8(2)16-17)13(18)15-7-10-5-6-11(21-10)14(19)20/h5-6H,4,7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyJPSWMJQVBDKIFR-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.74
Rot. Bonds5

About 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 119245798) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID119245798
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCCn1nc(C)c(C(=O)NCc2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C14H17N3O4/c1-4-17-9(3)12(8(2)16-17)13(18)15-7-10-5-6-11(21-10)14(19)20/h5-6H,4,7H2,1-3H3,(H,15,18)(H,19,20)
InChIKeyJPSWMJQVBDKIFR-UHFFFAOYSA-N
XLogP1.74
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(1-ethyl-3,5-dimethylpyrazol-4-yl)carbamoylamino]methyl]-N-methylfuran-2-carboxamide
CID 118765939
5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
1-ethyl-3,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 19472103
5-(1-ethyl-3,5-dimethylpyrazol-4-yl)furan-2-carboxylic acid
CID 63810885
1-[3-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]phenyl]pyrazole-3-carboxylic acid
CID 120629527
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060
5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119245670
5-[[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119246100
5-[[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]methyl]furan-2-carboxylic acid
CID 115991264
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-carboxylic acid
CID 736773
1-ethyl-3,5-dimethyl-N-[3-(5-methylpyrazol-1-yl)propyl]pyrazole-4-carboxamide
CID 19472186
1-ethyl-N-[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 19472218

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 119245798) is 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid is CCn1nc(C)c(C(=O)NCc2ccc(C(=O)O)o2)c1C.
What is the InChIKey of 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is JPSWMJQVBDKIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-4-17-9(3)12(8(2)16-17)13(18)15-7-10-5-6-11(21-10)14(19)20/h5-6H,4,7H2,1-3H3,(H,15,18)(H,19,20).
What are the key properties of 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 291.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 119245798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).