3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde

C15H17N3O2 — CID 84617613

IUPAC3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccc(N3CCOCC3)cc2)cc1C=O
InChIInChI=1S/C15H17N3O2/c1-12-13(11-19)10-18(16-12)15-4-2-14(3-5-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
InChIKeyXZZKVSAHLKKXKJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.83
Rot. Bonds3

About 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde

3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde (PubChem CID 84617613) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde
PubChem CID84617613
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde
SMILESCc1nn(-c2ccc(N3CCOCC3)cc2)cc1C=O
InChIInChI=1S/C15H17N3O2/c1-12-13(11-19)10-18(16-12)15-4-2-14(3-5-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3
InChIKeyXZZKVSAHLKKXKJ-UHFFFAOYSA-N
XLogP1.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-methyl-1-(4-pyrrolidin-1-ylphenyl)pyrazole-4-carbaldehyde
CID 84617595
N-methyl-1-[3-methyl-1-(4-morpholin-4-ylphenyl)pyrazol-4-yl]methanamine
CID 84615184
2-methyl-6-morpholin-4-ylpyridine-3-carbaldehyde
CID 102544177
1-(4-chlorophenyl)-3-methylpyrazole-4-carbaldehyde;methyl 1-(4-chlorophenyl)-3-methylpyrazole-4-carboxylate
CID 159699408
16-(4-methylphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 71419396
2-fluoro-4-(4-morpholin-4-ylphenyl)benzaldehyde
CID 23005067
4-(3-methyl-1-phenylpyrazol-4-yl)sulfonylmorpholine
CID 42283183
4-(4-pyrrolidin-1-ylphenyl)morpholine
CID 67305085
3-methyl-1-(4-morpholin-4-ylphenyl)but-2-en-1-one
CID 146007688
4-[4-[2-(4-morpholin-4-ylphenyl)ethenyl]phenyl]morpholine
CID 141350180
N-methyl-1-[3-methyl-1-[4-(4-methylpiperazin-1-yl)phenyl]pyrazol-4-yl]methanamine
CID 84615161
3-cycloheptyl-1-(4-methylphenyl)pyrazole-4-carbaldehyde
CID 104508632

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde?
The IUPAC name of 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde (CID 84617613) is 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde.
What is the SMILES notation for 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde?
The canonical SMILES for 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde is Cc1nn(-c2ccc(N3CCOCC3)cc2)cc1C=O.
What is the InChIKey of 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde?
The InChIKey is XZZKVSAHLKKXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-12-13(11-19)10-18(16-12)15-4-2-14(3-5-15)17-6-8-20-9-7-17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde?
3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde has a molecular weight of 271.32 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(4-morpholin-4-ylphenyl)pyrazole-4-carbaldehyde is sourced from PubChem (CID 84617613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).