4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one

C11H14ClN5O — CID 114435097

IUPAC4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
SMILESCC(C)n1ncc(NCc2ccn[nH]2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O/c1-7(2)17-11(18)10(12)9(6-15-17)13-5-8-3-4-14-16-8/h3-4,6-7,13H,5H2,1-2H3,(H,14,16)
InChIKeyWNTPKMQUIXKPNU-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.81
Rot. Bonds4

About 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one

4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one (PubChem CID 114435097) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
PubChem CID114435097
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
SMILESCC(C)n1ncc(NCc2ccn[nH]2)c(Cl)c1=O
InChIInChI=1S/C11H14ClN5O/c1-7(2)17-11(18)10(12)9(6-15-17)13-5-8-3-4-14-16-8/h3-4,6-7,13H,5H2,1-2H3,(H,14,16)
InChIKeyWNTPKMQUIXKPNU-UHFFFAOYSA-N
XLogP1.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromophenyl)methylamino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432680
4-chloro-5-[(5-methylfuran-2-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114437125
4-chloro-5-[(4-methoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114432209
5-(butylamino)-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114432150
4-chloro-5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 106048168
4-bromo-2-methyl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one
CID 84583923
4-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114434377
5-[[(E)-4-aminobut-2-enyl]amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114447233
5-[(2-amino-2-ethylbutyl)amino]-4-chloro-2-propan-2-ylpyridazin-3-one
CID 114446774
4-chloro-5-[(3,4-diethoxyphenyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 19903163
1-(2-chlorophenyl)-5-propan-2-yl-N-(1H-pyrazol-5-ylmethyl)pyrazol-4-amine
CID 138038926
2-[(5-chloro-6-oxo-1-propan-2-ylpyridazin-4-yl)amino]-N-ethylethanesulfonamide
CID 106338125

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one (CID 114435097) is 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one is CC(C)n1ncc(NCc2ccn[nH]2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
The InChIKey is WNTPKMQUIXKPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-7(2)17-11(18)10(12)9(6-15-17)13-5-8-3-4-14-16-8/h3-4,6-7,13H,5H2,1-2H3,(H,14,16).
What are the key properties of 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one?
4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one has a molecular weight of 267.72 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-propan-2-yl-5-(1H-pyrazol-5-ylmethylamino)pyridazin-3-one is sourced from PubChem (CID 114435097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).