4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one

C12H16ClN5O — CID 114433442

IUPAC4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(Nc2cnn(CC)c2)c(Cl)c1=O
InChIInChI=1S/C12H16ClN5O/c1-3-5-18-12(19)11(13)10(7-15-18)16-9-6-14-17(4-2)8-9/h6-8,16H,3-5H2,1-2H3
InChIKeyGPHOMNRFWMYEIP-UHFFFAOYSA-N
MW281.75 g/mol
LogP2.27
Rot. Bonds5

About 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one

4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one (PubChem CID 114433442) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
PubChem CID114433442
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(Nc2cnn(CC)c2)c(Cl)c1=O
InChIInChI=1S/C12H16ClN5O/c1-3-5-18-12(19)11(13)10(7-15-18)16-9-6-14-17(4-2)8-9/h6-8,16H,3-5H2,1-2H3
InChIKeyGPHOMNRFWMYEIP-UHFFFAOYSA-N
XLogP2.27
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[2-(dimethylamino)ethyl]-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433450
4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433444
4-chloro-5-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]-2-prop-2-enylpyridazin-3-one
CID 114435921
4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
CID 114440121
4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
CID 114439887
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-bromo-5-[(1-ethylpyrazol-4-yl)amino]-2-prop-2-ynylpyridazin-3-one
CID 114433432
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-propylpyridazin-3-one
CID 114436229
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-propylpyridazin-3-one
CID 114437191
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one (CID 114433442) is 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one is CCCn1ncc(Nc2cnn(CC)c2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one?
The InChIKey is GPHOMNRFWMYEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-5-18-12(19)11(13)10(7-15-18)16-9-6-14-17(4-2)8-9/h6-8,16H,3-5H2,1-2H3.
What are the key properties of 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one?
4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one has a molecular weight of 281.75 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114433442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).