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

C11H14ClN5O — CID 114440121

IUPAC4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(Nc2ccn(C)n2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O/c1-3-5-17-11(18)10(12)8(7-13-17)14-9-4-6-16(2)15-9/h4,6-7H,3,5H2,1-2H3,(H,14,15)
InChIKeyHYRNYKIEYHSJLD-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.78
Rot. Bonds4

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

4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one (PubChem CID 114440121) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
PubChem CID114440121
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(Nc2ccn(C)n2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O/c1-3-5-17-11(18)10(12)8(7-13-17)14-9-4-6-16(2)15-9/h4,6-7H,3,5H2,1-2H3,(H,14,15)
InChIKeyHYRNYKIEYHSJLD-UHFFFAOYSA-N
XLogP1.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-propyl-5-(pyrrol-1-ylamino)pyridazin-3-one
CID 114439887
4-chloro-5-[(1-ethylpyrazol-4-yl)amino]-2-propylpyridazin-3-one
CID 114433442
4-chloro-5-(2-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114442139
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-3-yl)amino]pyridazin-3-one
CID 114440101
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-propylpyridazin-3-one
CID 114433229
4-chloro-5-(3-methylpentan-2-ylamino)-2-propylpyridazin-3-one
CID 114435329
4-chloro-5-[3-(hydroxymethyl)pentan-3-ylamino]-2-propylpyridazin-3-one
CID 114437191
4-chloro-5-[(4-hydroxyphenyl)methylamino]-2-propylpyridazin-3-one
CID 114443493
4-chloro-5-[(2,2-dimethylcyclopropyl)methylamino]-2-propylpyridazin-3-one
CID 114108582
4-chloro-5-[(4-methylcyclohexyl)methylamino]-2-propylpyridazin-3-one
CID 114437685
5-(but-3-enylamino)-4-chloro-2-propylpyridazin-3-one
CID 114442009
4-chloro-5-(1-methylsulfanylpropan-2-ylamino)-2-propylpyridazin-3-one
CID 114442160

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one (CID 114440121) is 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one is CCCn1ncc(Nc2ccn(C)n2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one?
The InChIKey is HYRNYKIEYHSJLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-3-5-17-11(18)10(12)8(7-13-17)14-9-4-6-16(2)15-9/h4,6-7H,3,5H2,1-2H3,(H,14,15).
What are the key properties of 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one?
4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one has a molecular weight of 267.72 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[(1-methylpyrazol-3-yl)amino]-2-propylpyridazin-3-one is sourced from PubChem (CID 114440121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).