(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

C17H21ClN4O — CID 8901557

IUPAC(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESCc1ccc(C)c(-n2nc(C)c(C=NN3CCOCC3)c2Cl)c1
InChIInChI=1S/C17H21ClN4O/c1-12-4-5-13(2)16(10-12)22-17(18)15(14(3)20-22)11-19-21-6-8-23-9-7-21/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPFSPKTRHNWGFHG-UHFFFAOYSA-N
MW332.84 g/mol
LogP3.12
Rot. Bonds3

About (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine

(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (PubChem CID 8901557) has the molecular formula C17H21ClN4O and a molecular weight of 332.84 g/mol. Its IUPAC name is (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
PubChem CID8901557
Molecular FormulaC17H21ClN4O
Molecular Weight332.84 g/mol
Exact Mass332.14
IUPAC Name(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine
SMILESCc1ccc(C)c(-n2nc(C)c(C=NN3CCOCC3)c2Cl)c1
InChIInChI=1S/C17H21ClN4O/c1-12-4-5-13(2)16(10-12)22-17(18)15(14(3)20-22)11-19-21-6-8-23-9-7-21/h4-5,10-11H,6-9H2,1-3H3
InChIKeyPFSPKTRHNWGFHG-UHFFFAOYSA-N
XLogP3.12
TPSA42.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.84
LogP ≤ 53.12
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 (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine (CID 8901557) is (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is Cc1ccc(C)c(-n2nc(C)c(C=NN3CCOCC3)c2Cl)c1.
What is the InChIKey of (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
The InChIKey is PFSPKTRHNWGFHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O/c1-12-4-5-13(2)16(10-12)22-17(18)15(14(3)20-22)11-19-21-6-8-23-9-7-21/h4-5,10-11H,6-9H2,1-3H3.
What are the key properties of (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine?
(Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine has a molecular weight of 332.84 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[5-chloro-1-(2,5-dimethylphenyl)-3-methylpyrazol-4-yl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 8901557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).