4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one

C14H18BrN5O — CID 114440462

IUPAC4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
SMILESCn1cc(CCNc2cnn(CC3CC3)c(=O)c2Br)cn1
InChIInChI=1S/C14H18BrN5O/c1-19-8-11(6-17-19)4-5-16-12-7-18-20(9-10-2-3-10)14(21)13(12)15/h6-8,10,16H,2-5,9H2,1H3
InChIKeyGXCAVRHIFCUVBS-UHFFFAOYSA-N
MW352.24 g/mol
LogP1.80
Rot. Bonds6

About 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one

4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one (PubChem CID 114440462) has the molecular formula C14H18BrN5O and a molecular weight of 352.24 g/mol. Its IUPAC name is 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
PubChem CID114440462
Molecular FormulaC14H18BrN5O
Molecular Weight352.24 g/mol
Exact Mass351.07
IUPAC Name4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
SMILESCn1cc(CCNc2cnn(CC3CC3)c(=O)c2Br)cn1
InChIInChI=1S/C14H18BrN5O/c1-19-8-11(6-17-19)4-5-16-12-7-18-20(9-10-2-3-10)14(21)13(12)15/h6-8,10,16H,2-5,9H2,1H3
InChIKeyGXCAVRHIFCUVBS-UHFFFAOYSA-N
XLogP1.80
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-(2-hydroxyethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one
CID 114440461
4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylimidazol-2-yl)ethylamino]pyridazin-3-one
CID 114434888
4-bromo-2-(cyclopropylmethyl)-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325934
4-bromo-2-(cyclopropylmethyl)-5-(3-methoxypropylamino)pyridazin-3-one
CID 114432904
4-bromo-2-(cyclopropylmethyl)-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444121
4-bromo-2-(cyclopropylmethyl)-5-(methylamino)pyridazin-3-one
CID 114431676
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylpropanamide
CID 114434107
4-bromo-2-(cyclopropylmethyl)-5-[2-[ethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437293
4-bromo-2-(cyclopropylmethyl)-5-(prop-2-ynylamino)pyridazin-3-one
CID 114436899
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
3-[[5-bromo-1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]amino]-N-ethylpropanamide
CID 114441623
5-(benzylamino)-4-bromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 114432064

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one (CID 114440462) is 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one is Cn1cc(CCNc2cnn(CC3CC3)c(=O)c2Br)cn1.
What is the InChIKey of 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one?
The InChIKey is GXCAVRHIFCUVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN5O/c1-19-8-11(6-17-19)4-5-16-12-7-18-20(9-10-2-3-10)14(21)13(12)15/h6-8,10,16H,2-5,9H2,1H3.
What are the key properties of 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one?
4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one has a molecular weight of 352.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(cyclopropylmethyl)-5-[2-(1-methylpyrazol-4-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114440462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).