4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid

C14H21N3O4 — CID 66252239

IUPAC4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cnn(C)c1C)C1COCC1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-4-5-17(12-8-21-7-11(12)14(19)20)13(18)10-6-15-16(3)9(10)2/h6,11-12H,4-5,7-8H2,1-3H3,(H,19,20)
InChIKeySDQSACJAHJWMJH-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.68
Rot. Bonds5

About 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid

4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66252239) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66252239
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)c1cnn(C)c1C)C1COCC1C(=O)O
InChIInChI=1S/C14H21N3O4/c1-4-5-17(12-8-21-7-11(12)14(19)20)13(18)10-6-15-16(3)9(10)2/h6,11-12H,4-5,7-8H2,1-3H3,(H,19,20)
InChIKeySDQSACJAHJWMJH-UHFFFAOYSA-N
XLogP0.68
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]oxolane-3-carboxylic acid
CID 66237371
4-[(3-chloropyridine-4-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66463005
4-[(4-methylbenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66254149
4-[(2-iodobenzoyl)-propylamino]oxolane-3-carboxylic acid
CID 66253206
4-[(1,5-dimethylpyrazol-4-yl)methyl-methylamino]oxolane-3-carboxylic acid
CID 79595785
4-[propyl(1H-pyrazole-4-carbonyl)amino]oxolane-3-carboxylic acid
CID 66253972
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(4,5-dimethylthiophene-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66260303
4-[(1-ethylpyrrole-2-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 66251268
4-[(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-propylamino]oxolane-3-carboxylic acid
CID 106316119
N-cyclopropyl-1,5-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94026181
N-(2-bromoethyl)-1,5-dimethyl-N-propylpyrazole-4-carboxamide
CID 80665959

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid (CID 66252239) is 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)c1cnn(C)c1C)C1COCC1C(=O)O.
What is the InChIKey of 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is SDQSACJAHJWMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-4-5-17(12-8-21-7-11(12)14(19)20)13(18)10-6-15-16(3)9(10)2/h6,11-12H,4-5,7-8H2,1-3H3,(H,19,20).
What are the key properties of 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid?
4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-dimethylpyrazole-4-carbonyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66252239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).