1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde

C13H22N4O — CID 28951483

IUPAC1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(C)C2CCN(C)CC2)c1C=O
InChIInChI=1S/C13H22N4O/c1-10-12(9-18)13(17(4)14-10)16(3)11-5-7-15(2)8-6-11/h9,11H,5-8H2,1-4H3
InChIKeyCIUUUEKIEZNBDJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.07
Rot. Bonds3

About 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde

1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde (PubChem CID 28951483) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde
PubChem CID28951483
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde
SMILESCc1nn(C)c(N(C)C2CCN(C)CC2)c1C=O
InChIInChI=1S/C13H22N4O/c1-10-12(9-18)13(17(4)14-10)16(3)11-5-7-15(2)8-6-11/h9,11H,5-8H2,1-4H3
InChIKeyCIUUUEKIEZNBDJ-UHFFFAOYSA-N
XLogP1.07
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde?
The IUPAC name of 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde (CID 28951483) is 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde.
What is the SMILES notation for 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde?
The canonical SMILES for 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde is Cc1nn(C)c(N(C)C2CCN(C)CC2)c1C=O.
What is the InChIKey of 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde?
The InChIKey is CIUUUEKIEZNBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10-12(9-18)13(17(4)14-10)16(3)11-5-7-15(2)8-6-11/h9,11H,5-8H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde?
1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde has a molecular weight of 250.35 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl-(1-methylpiperidin-4-yl)amino]pyrazole-4-carbaldehyde is sourced from PubChem (CID 28951483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).