4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one

C10H12ClN5O — CID 103994865

IUPAC4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccc(Cl)nn2)c(=O)c1N
InChIInChI=1S/C10H12ClN5O/c1-2-3-6-9(12)10(17)16(15-6)8-5-4-7(11)13-14-8/h4-5,15H,2-3,12H2,1H3
InChIKeyQVFUJIVUWZYQRB-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one

4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one (PubChem CID 103994865) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one
PubChem CID103994865
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one
SMILESCCCc1[nH]n(-c2ccc(Cl)nn2)c(=O)c1N
InChIInChI=1S/C10H12ClN5O/c1-2-3-6-9(12)10(17)16(15-6)8-5-4-7(11)13-14-8/h4-5,15H,2-3,12H2,1H3
InChIKeyQVFUJIVUWZYQRB-UHFFFAOYSA-N
XLogP1.14
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one?
The IUPAC name of 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one (CID 103994865) is 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one?
The canonical SMILES for 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one is CCCc1[nH]n(-c2ccc(Cl)nn2)c(=O)c1N.
What is the InChIKey of 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one?
The InChIKey is QVFUJIVUWZYQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-2-3-6-9(12)10(17)16(15-6)8-5-4-7(11)13-14-8/h4-5,15H,2-3,12H2,1H3.
What are the key properties of 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one?
4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one has a molecular weight of 253.69 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(6-chloropyridazin-3-yl)-5-propyl-1H-pyrazol-3-one is sourced from PubChem (CID 103994865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).