3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde

C14H19N5O — CID 145048595

IUPAC3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde
SMILESCc1nn(CCN(C)C)cc1Nc1cnccc1C=O
InChIInChI=1S/C14H19N5O/c1-11-14(9-19(17-11)7-6-18(2)3)16-13-8-15-5-4-12(13)10-20/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyZHBSFFRSNKXHLS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.70
Rot. Bonds6

About 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde

3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde (PubChem CID 145048595) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde
PubChem CID145048595
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde
SMILESCc1nn(CCN(C)C)cc1Nc1cnccc1C=O
InChIInChI=1S/C14H19N5O/c1-11-14(9-19(17-11)7-6-18(2)3)16-13-8-15-5-4-12(13)10-20/h4-5,8-10,16H,6-7H2,1-3H3
InChIKeyZHBSFFRSNKXHLS-UHFFFAOYSA-N
XLogP1.70
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde?
The IUPAC name of 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde (CID 145048595) is 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde.
What is the SMILES notation for 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde?
The canonical SMILES for 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde is Cc1nn(CCN(C)C)cc1Nc1cnccc1C=O.
What is the InChIKey of 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde?
The InChIKey is ZHBSFFRSNKXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-14(9-19(17-11)7-6-18(2)3)16-13-8-15-5-4-12(13)10-20/h4-5,8-10,16H,6-7H2,1-3H3.
What are the key properties of 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde?
3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde has a molecular weight of 273.34 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[2-(dimethylamino)ethyl]-3-methylpyrazol-4-yl]amino]pyridine-4-carbaldehyde is sourced from PubChem (CID 145048595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).