4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid

C10H13N3O4 — CID 67041580

IUPAC4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(C(=O)N2CCC(O)C2)c1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-12-8(10(16)17)7(4-11-12)9(15)13-3-2-6(14)5-13/h4,6,14H,2-3,5H2,1H3,(H,16,17)
InChIKeyDNEGYHVHMNWBAX-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.67
Rot. Bonds2

About 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid

4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid (PubChem CID 67041580) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
PubChem CID67041580
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
SMILESCn1ncc(C(=O)N2CCC(O)C2)c1C(=O)O
InChIInChI=1S/C10H13N3O4/c1-12-8(10(16)17)7(4-11-12)9(15)13-3-2-6(14)5-13/h4,6,14H,2-3,5H2,1H3,(H,16,17)
InChIKeyDNEGYHVHMNWBAX-UHFFFAOYSA-N
XLogP-0.67
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The IUPAC name of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid (CID 67041580) is 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The canonical SMILES for 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid is Cn1ncc(C(=O)N2CCC(O)C2)c1C(=O)O.
What is the InChIKey of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
The InChIKey is DNEGYHVHMNWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-12-8(10(16)17)7(4-11-12)9(15)13-3-2-6(14)5-13/h4,6,14H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid?
4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxypyrrolidine-1-carbonyl)-1-methylpyrazole-5-carboxylic acid is sourced from PubChem (CID 67041580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).