3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

C7H11N3O3 — CID 82406302

IUPAC3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESNCCCc1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H11N3O3/c8-3-1-2-4-5(7(12)13)6(11)10-9-4/h1-3,8H2,(H,12,13)(H2,9,10,11)
InChIKeyQVYQFNCBGULSRO-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.71
Rot. Bonds4

About 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid

3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 82406302) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID82406302
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESNCCCc1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H11N3O3/c8-3-1-2-4-5(7(12)13)6(11)10-9-4/h1-3,8H2,(H,12,13)(H2,9,10,11)
InChIKeyQVYQFNCBGULSRO-UHFFFAOYSA-N
XLogP-0.71
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (CID 82406302) is 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is NCCCc1[nH][nH]c(=O)c1C(=O)O.
What is the InChIKey of 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is QVYQFNCBGULSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c8-3-1-2-4-5(7(12)13)6(11)10-9-4/h1-3,8H2,(H,12,13)(H2,9,10,11).
What are the key properties of 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.71, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82406302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).