1-(1,2-dihydropyridin-4-yl)-3-methylindazole

C13H13N3 — CID 167447499

IUPAC1-(1,2-dihydropyridin-4-yl)-3-methylindazole
SMILESCc1nn(C2=CCNC=C2)c2ccccc12
InChIInChI=1S/C13H13N3/c1-10-12-4-2-3-5-13(12)16(15-10)11-6-8-14-9-7-11/h2-8,14H,9H2,1H3
InChIKeyIKQWQBCADRRBLU-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.30
Rot. Bonds1

About 1-(1,2-dihydropyridin-4-yl)-3-methylindazole

1-(1,2-dihydropyridin-4-yl)-3-methylindazole (PubChem CID 167447499) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is 1-(1,2-dihydropyridin-4-yl)-3-methylindazole.

Molecular Properties

Compound Name1-(1,2-dihydropyridin-4-yl)-3-methylindazole
PubChem CID167447499
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Name1-(1,2-dihydropyridin-4-yl)-3-methylindazole
SMILESCc1nn(C2=CCNC=C2)c2ccccc12
InChIInChI=1S/C13H13N3/c1-10-12-4-2-3-5-13(12)16(15-10)11-6-8-14-9-7-11/h2-8,14H,9H2,1H3
InChIKeyIKQWQBCADRRBLU-UHFFFAOYSA-N
XLogP2.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dihydropyridin-4-yl)-3-methylindazole?
The IUPAC name of 1-(1,2-dihydropyridin-4-yl)-3-methylindazole (CID 167447499) is 1-(1,2-dihydropyridin-4-yl)-3-methylindazole.
What is the SMILES notation for 1-(1,2-dihydropyridin-4-yl)-3-methylindazole?
The canonical SMILES for 1-(1,2-dihydropyridin-4-yl)-3-methylindazole is Cc1nn(C2=CCNC=C2)c2ccccc12.
What is the InChIKey of 1-(1,2-dihydropyridin-4-yl)-3-methylindazole?
The InChIKey is IKQWQBCADRRBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-10-12-4-2-3-5-13(12)16(15-10)11-6-8-14-9-7-11/h2-8,14H,9H2,1H3.
What are the key properties of 1-(1,2-dihydropyridin-4-yl)-3-methylindazole?
1-(1,2-dihydropyridin-4-yl)-3-methylindazole has a molecular weight of 211.27 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dihydropyridin-4-yl)-3-methylindazole is sourced from PubChem (CID 167447499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).