2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

C18H19ClN6O — CID 135824080

IUPAC2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(-n2nc(C)c(/C=N\Nc3nc(C)cc(=O)[nH]3)c2Cl)c1
InChIInChI=1S/C18H19ClN6O/c1-10-5-6-11(2)15(7-10)25-17(19)14(13(4)24-25)9-20-23-18-21-12(3)8-16(26)22-18/h5-9H,1-4H3,(H2,21,22,23,26)/b20-9-
InChIKeyWTECAHVWOWBLMX-UKWGHVSLSA-N
MW370.84 g/mol
LogP3.29
Rot. Bonds4

About 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one

2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 135824080) has the molecular formula C18H19ClN6O and a molecular weight of 370.84 g/mol. Its IUPAC name is 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
PubChem CID135824080
Molecular FormulaC18H19ClN6O
Molecular Weight370.84 g/mol
Exact Mass370.13
IUPAC Name2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1ccc(C)c(-n2nc(C)c(/C=N\Nc3nc(C)cc(=O)[nH]3)c2Cl)c1
InChIInChI=1S/C18H19ClN6O/c1-10-5-6-11(2)15(7-10)25-17(19)14(13(4)24-25)9-20-23-18-21-12(3)8-16(26)22-18/h5-9H,1-4H3,(H2,21,22,23,26)/b20-9-
InChIKeyWTECAHVWOWBLMX-UKWGHVSLSA-N
XLogP3.29
TPSA87.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2E)-2-[(2,6-dichlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135693146
2-chloro-7-methyl-3-[(E)-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)hydrazinylidene]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 135576402
(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
CID 8901557
N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 9463792
N-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-2-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 9029891
2-[(2E)-2-[(2-chlorophenyl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135421727
3-[(2Z)-2-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylidene]hydrazinyl]-4H-1,2,4-triazin-5-one
CID 135912590
2-[2-[(5-bromothiophen-2-yl)methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135495945
2-[(2E)-2-benzylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
CID 135460312
4-methyl-2-[2-[(3-methylthiophen-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
CID 135457178
1-[(Z)-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175692
(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
CID 9028333

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one (CID 135824080) is 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is Cc1ccc(C)c(-n2nc(C)c(/C=N\Nc3nc(C)cc(=O)[nH]3)c2Cl)c1.
What is the InChIKey of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WTECAHVWOWBLMX-UKWGHVSLSA-N. The full InChI is InChI=1S/C18H19ClN6O/c1-10-5-6-11(2)15(7-10)25-17(19)14(13(4)24-25)9-20-23-18-21-12(3)8-16(26)22-18/h5-9H,1-4H3,(H2,21,22,23,26)/b20-9-.
What are the key properties of 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one?
2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 370.84 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]methylidene]hydrazinyl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135824080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).