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

C7H11N3O3 — CID 82406303

IUPAC3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESCCC(N)c1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H11N3O3/c1-2-3(8)5-4(7(12)13)6(11)10-9-5/h3H,2,8H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeySNOPWBMHPOIKAR-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.19
Rot. Bonds3

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

3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (PubChem CID 82406303) has the molecular formula C7H11N3O3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
PubChem CID82406303
Molecular FormulaC7H11N3O3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
SMILESCCC(N)c1[nH][nH]c(=O)c1C(=O)O
InChIInChI=1S/C7H11N3O3/c1-2-3(8)5-4(7(12)13)6(11)10-9-5/h3H,2,8H2,1H3,(H,12,13)(H2,9,10,11)
InChIKeySNOPWBMHPOIKAR-UHFFFAOYSA-N
XLogP-0.19
TPSA111.97 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The IUPAC name of 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid (CID 82406303) is 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The canonical SMILES for 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is CCC(N)c1[nH][nH]c(=O)c1C(=O)O.
What is the InChIKey of 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
The InChIKey is SNOPWBMHPOIKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O3/c1-2-3(8)5-4(7(12)13)6(11)10-9-5/h3H,2,8H2,1H3,(H,12,13)(H2,9,10,11).
What are the key properties of 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid?
3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid has a molecular weight of 185.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminopropyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid is sourced from PubChem (CID 82406303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).