5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid

C16H21N3O4 — CID 120527267

IUPAC5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1CC(C)C
InChIInChI=1S/C16H21N3O4/c1-4-13-12(8-18-19(13)9-10(2)3)15(20)17-7-11-5-6-14(23-11)16(21)22/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyVATDPQGWSZXXQH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.32
Rot. Bonds7

About 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 120527267) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID120527267
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1CC(C)C
InChIInChI=1S/C16H21N3O4/c1-4-13-12(8-18-19(13)9-10(2)3)15(20)17-7-11-5-6-14(23-11)16(21)22/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyVATDPQGWSZXXQH-UHFFFAOYSA-N
XLogP2.32
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
5-[[3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanoylamino]methyl]furan-2-carboxylic acid
CID 119245670
5-ethyl-N-(4-hydroxy-2,2-dimethylpentyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109477074
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-5-ethyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109468532
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209
5-ethyl-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478202
5-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]furan-2-carboxylic acid
CID 146133192
5-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 109478350
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
5-[[3-(4-ethylphenyl)propanoylamino]methyl]furan-2-carboxylic acid
CID 119246024

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 120527267) is 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid is CCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1CC(C)C.
What is the InChIKey of 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is VATDPQGWSZXXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-4-13-12(8-18-19(13)9-10(2)3)15(20)17-7-11-5-6-14(23-11)16(21)22/h5-6,8,10H,4,7,9H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 2.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120527267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).