4-amino-5-pentyl-1,2-dihydropyrazol-3-one

C8H15N3O — CID 10130158

IUPAC4-amino-5-pentyl-1,2-dihydropyrazol-3-one
SMILESCCCCCc1[nH][nH]c(=O)c1N
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-6-7(9)8(12)11-10-6/h2-5,9H2,1H3,(H2,10,11,12)
InChIKeyPKYALKMHWKFQQY-UHFFFAOYSA-N
MW169.23 g/mol
LogP1.02
Rot. Bonds4

About 4-amino-5-pentyl-1,2-dihydropyrazol-3-one

4-amino-5-pentyl-1,2-dihydropyrazol-3-one (PubChem CID 10130158) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-amino-5-pentyl-1,2-dihydropyrazol-3-one.

Molecular Properties

Compound Name4-amino-5-pentyl-1,2-dihydropyrazol-3-one
PubChem CID10130158
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-amino-5-pentyl-1,2-dihydropyrazol-3-one
SMILESCCCCCc1[nH][nH]c(=O)c1N
InChIInChI=1S/C8H15N3O/c1-2-3-4-5-6-7(9)8(12)11-10-6/h2-5,9H2,1H3,(H2,10,11,12)
InChIKeyPKYALKMHWKFQQY-UHFFFAOYSA-N
XLogP1.02
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-pentyl-1,2-dihydropyrazol-3-one?
The IUPAC name of 4-amino-5-pentyl-1,2-dihydropyrazol-3-one (CID 10130158) is 4-amino-5-pentyl-1,2-dihydropyrazol-3-one.
What is the SMILES notation for 4-amino-5-pentyl-1,2-dihydropyrazol-3-one?
The canonical SMILES for 4-amino-5-pentyl-1,2-dihydropyrazol-3-one is CCCCCc1[nH][nH]c(=O)c1N.
What is the InChIKey of 4-amino-5-pentyl-1,2-dihydropyrazol-3-one?
The InChIKey is PKYALKMHWKFQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-3-4-5-6-7(9)8(12)11-10-6/h2-5,9H2,1H3,(H2,10,11,12).
What are the key properties of 4-amino-5-pentyl-1,2-dihydropyrazol-3-one?
4-amino-5-pentyl-1,2-dihydropyrazol-3-one has a molecular weight of 169.23 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-pentyl-1,2-dihydropyrazol-3-one is sourced from PubChem (CID 10130158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).