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

C16H19N3O5 — CID 120527209

IUPAC5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1C1CCOCC1
InChIInChI=1S/C16H19N3O5/c1-10-13(9-18-19(10)11-4-6-23-7-5-11)15(20)17-8-12-2-3-14(24-12)16(21)22/h2-3,9,11H,4-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyVKFLFCUGAXADIF-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.76
Rot. Bonds5

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

5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 120527209) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID120527209
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC Name5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESCc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1C1CCOCC1
InChIInChI=1S/C16H19N3O5/c1-10-13(9-18-19(10)11-4-6-23-7-5-11)15(20)17-8-12-2-3-14(24-12)16(21)22/h2-3,9,11H,4-8H2,1H3,(H,17,20)(H,21,22)
InChIKeyVKFLFCUGAXADIF-UHFFFAOYSA-N
XLogP1.76
TPSA106.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120527294
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 126767913
4-methyl-1-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 120529970
1-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]cycloheptane-1-carboxylic acid
CID 120538619
(2S,3S)-3-methyl-2-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120517383
5-[[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid
CID 120527267
(3S)-3-(4-chlorophenyl)-3-[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120531556
5-[[[ethyl(oxan-4-ylmethyl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 121499054
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-5-methyl-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 75470464
5-[[(2-methyl-4-propan-2-ylpyrimidine-5-carbonyl)amino]methyl]furan-2-carboxylic acid
CID 120687786
5-[[[methyl(oxolan-3-yl)carbamoyl]amino]methyl]furan-2-carboxylic acid
CID 82741959
1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 126793407

Frequently Asked Questions

What is the IUPAC name of 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 120527209) is 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid is Cc1c(C(=O)NCc2ccc(C(=O)O)o2)cnn1C1CCOCC1.
What is the InChIKey of 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is VKFLFCUGAXADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-13(9-18-19(10)11-4-6-23-7-5-11)15(20)17-8-12-2-3-14(24-12)16(21)22/h2-3,9,11H,4-8H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 333.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[5-methyl-1-(oxan-4-yl)pyrazole-4-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 120527209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).