4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one

C10H19N3O — CID 63972440

IUPAC4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one
SMILESCC(C)(C)C1=NNC(=O)C1CCCN
InChIInChI=1S/C10H19N3O/c1-10(2,3)8-7(5-4-6-11)9(14)13-12-8/h7H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyPDRPXYDOHHENSU-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.87
Rot. Bonds3

About 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one

4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one (PubChem CID 63972440) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one.

Molecular Properties

Compound Name4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one
PubChem CID63972440
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one
SMILESCC(C)(C)C1=NNC(=O)C1CCCN
InChIInChI=1S/C10H19N3O/c1-10(2,3)8-7(5-4-6-11)9(14)13-12-8/h7H,4-6,11H2,1-3H3,(H,13,14)
InChIKeyPDRPXYDOHHENSU-UHFFFAOYSA-N
XLogP0.87
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one?
The IUPAC name of 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one (CID 63972440) is 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one.
What is the SMILES notation for 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one?
The canonical SMILES for 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one is CC(C)(C)C1=NNC(=O)C1CCCN.
What is the InChIKey of 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one?
The InChIKey is PDRPXYDOHHENSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-10(2,3)8-7(5-4-6-11)9(14)13-12-8/h7H,4-6,11H2,1-3H3,(H,13,14).
What are the key properties of 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one?
4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one has a molecular weight of 197.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-3-tert-butyl-1,4-dihydropyrazol-5-one is sourced from PubChem (CID 63972440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).