1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine

C16H19ClN4O — CID 4854836

IUPAC1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESCc1ccc(-n2nc(C)c(C=NN3CCOCC3)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-12-3-5-14(6-4-12)21-16(17)15(13(2)19-21)11-18-20-7-9-22-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKeyMTHWXEJMDSNQAA-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.81
Rot. Bonds3

About 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine

1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine (PubChem CID 4854836) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine
PubChem CID4854836
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESCc1ccc(-n2nc(C)c(C=NN3CCOCC3)c2Cl)cc1
InChIInChI=1S/C16H19ClN4O/c1-12-3-5-14(6-4-12)21-16(17)15(13(2)19-21)11-18-20-7-9-22-10-8-20/h3-6,11H,7-10H2,1-2H3
InChIKeyMTHWXEJMDSNQAA-UHFFFAOYSA-N
XLogP2.81
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine (CID 4854836) is 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine is Cc1ccc(-n2nc(C)c(C=NN3CCOCC3)c2Cl)cc1.
What is the InChIKey of 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is MTHWXEJMDSNQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-3-5-14(6-4-12)21-16(17)15(13(2)19-21)11-18-20-7-9-22-10-8-20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine?
1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 318.81 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-3-methyl-1-(4-methylphenyl)pyrazol-4-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 4854836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).