5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid

C16H21N3O4 — CID 120527294

IUPAC5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCCC(CC)n1ncc(C(=O)NCc2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C16H21N3O4/c1-4-11(5-2)19-10(3)13(9-18-19)15(20)17-8-12-6-7-14(23-12)16(21)22/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyRQYAYYWWUXVJJH-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.77
Rot. Bonds7

About 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid

5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid (PubChem CID 120527294) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
PubChem CID120527294
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
SMILESCCC(CC)n1ncc(C(=O)NCc2ccc(C(=O)O)o2)c1C
InChIInChI=1S/C16H21N3O4/c1-4-11(5-2)19-10(3)13(9-18-19)15(20)17-8-12-6-7-14(23-12)16(21)22/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)(H,21,22)
InChIKeyRQYAYYWWUXVJJH-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527209
5-[[(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 119245798
2-methyl-3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525842
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
3-methyl-4-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120537175
2-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 120523692
3-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 120522803
5-[[[2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246060
1-(5-methyl-1-pentan-3-ylpyrazol-4-yl)ethanone
CID 61271115
1-[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120515128
5-methyl-N-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-1-pentan-3-ylpyrazole-4-carboxamide
CID 122141640

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid (CID 120527294) is 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid is CCC(CC)n1ncc(C(=O)NCc2ccc(C(=O)O)o2)c1C.
What is the InChIKey of 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
The InChIKey is RQYAYYWWUXVJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-4-11(5-2)19-10(3)13(9-18-19)15(20)17-8-12-6-7-14(23-12)16(21)22/h6-7,9,11H,4-5,8H2,1-3H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid?
5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid has a molecular weight of 319.36 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120527294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).