3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one

C10H10N4O — CID 176912062

IUPAC3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cnn(C3CC3)c2)n[nH]1
InChIInChI=1S/C10H10N4O/c15-10-4-3-9(12-13-10)7-5-11-14(6-7)8-1-2-8/h3-6,8H,1-2H2,(H,13,15)
InChIKeyCIMSFOMUANMQFF-UHFFFAOYSA-N
MW202.22 g/mol
LogP0.97
Rot. Bonds2

About 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one

3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one (PubChem CID 176912062) has the molecular formula C10H10N4O and a molecular weight of 202.22 g/mol. Its IUPAC name is 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one
PubChem CID176912062
Molecular FormulaC10H10N4O
Molecular Weight202.22 g/mol
Exact Mass202.09
IUPAC Name3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one
SMILESO=c1ccc(-c2cnn(C3CC3)c2)n[nH]1
InChIInChI=1S/C10H10N4O/c15-10-4-3-9(12-13-10)7-5-11-14(6-7)8-1-2-8/h3-6,8H,1-2H2,(H,13,15)
InChIKeyCIMSFOMUANMQFF-UHFFFAOYSA-N
XLogP0.97
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one?
The IUPAC name of 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one (CID 176912062) is 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one is O=c1ccc(-c2cnn(C3CC3)c2)n[nH]1.
What is the InChIKey of 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one?
The InChIKey is CIMSFOMUANMQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O/c15-10-4-3-9(12-13-10)7-5-11-14(6-7)8-1-2-8/h3-6,8H,1-2H2,(H,13,15).
What are the key properties of 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one?
3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one has a molecular weight of 202.22 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopropylpyrazol-4-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 176912062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).