3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal

C15H13ClN4O — CID 90289230

IUPAC3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
SMILESCc1nn(CCC=O)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H13ClN4O/c1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h3-4,6-9H,2,5H2,1H3
InChIKeySBJKKTRTTAJZBR-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.04
Rot. Bonds4

About 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal

3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal (PubChem CID 90289230) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal.

Molecular Properties

Compound Name3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
PubChem CID90289230
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal
SMILESCc1nn(CCC=O)cc1-c1cnc2ccc(Cl)nc2c1
InChIInChI=1S/C15H13ClN4O/c1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h3-4,6-9H,2,5H2,1H3
InChIKeySBJKKTRTTAJZBR-UHFFFAOYSA-N
XLogP3.04
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
The IUPAC name of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal (CID 90289230) is 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal.
What is the SMILES notation for 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
The canonical SMILES for 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal is Cc1nn(CCC=O)cc1-c1cnc2ccc(Cl)nc2c1.
What is the InChIKey of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
The InChIKey is SBJKKTRTTAJZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-10-12(9-20(19-10)5-2-6-21)11-7-14-13(17-8-11)3-4-15(16)18-14/h3-4,6-9H,2,5H2,1H3.
What are the key properties of 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal?
3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal has a molecular weight of 300.75 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-chloro-1,5-naphthyridin-3-yl)-3-methylpyrazol-1-yl]propanal is sourced from PubChem (CID 90289230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).