4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid

C12H17N3O4 — CID 66253972

IUPAC4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cn[nH]c1)C1COCC1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-3-15(11(16)8-4-13-14-5-8)10-7-19-6-9(10)12(17)18/h4-5,9-10H,2-3,6-7H2,1H3,(H,13,14)(H,17,18)
InChIKeyFOLOSRCUPRHXJM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.36
Rot. Bonds5

About 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid

4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66253972) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66253972
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cn[nH]c1)C1COCC1C(=O)O
InChIInChI=1S/C12H17N3O4/c1-2-3-15(11(16)8-4-13-14-5-8)10-7-19-6-9(10)12(17)18/h4-5,9-10H,2-3,6-7H2,1H3,(H,13,14)(H,17,18)
InChIKeyFOLOSRCUPRHXJM-UHFFFAOYSA-N
XLogP0.36
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246233
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66252239
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005
N-(4-aminocyclohexyl)-N-propyl-1H-pyrazole-4-carboxamide
CID 79111863
4-[propyl(1H-1,2,4-triazol-5-ylmethylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66252743
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-1H-pyrazole-4-carboxamide
CID 61231138
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[ethyl-(5-hydroxypyridine-3-carbonyl)amino]oxolane-3-carboxylic acid
CID 66246419

Frequently Asked Questions

What is the IUPAC name of 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid (CID 66253972) is 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid is CCCN(C(=O)c1cn[nH]c1)C1COCC1C(=O)O.
What is the InChIKey of 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is FOLOSRCUPRHXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-2-3-15(11(16)8-4-13-14-5-8)10-7-19-6-9(10)12(17)18/h4-5,9-10H,2-3,6-7H2,1H3,(H,13,14)(H,17,18).
What are the key properties of 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid?
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66253972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).