6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one

C19H15N3O2 — CID 177165682

IUPAC6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(c1cccnc1)=C2c1cnn(C)c1
InChIInChI=1S/C19H15N3O2/c1-22-11-13(10-21-22)17-15-6-5-14(24-2)8-16(15)19(23)18(17)12-4-3-7-20-9-12/h3-11H,1-2H3
InChIKeyDSJAJTBWRFRFRT-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.98
Rot. Bonds3

About 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one

6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one (PubChem CID 177165682) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one.

Molecular Properties

Compound Name6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one
PubChem CID177165682
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(c1cccnc1)=C2c1cnn(C)c1
InChIInChI=1S/C19H15N3O2/c1-22-11-13(10-21-22)17-15-6-5-14(24-2)8-16(15)19(23)18(17)12-4-3-7-20-9-12/h3-11H,1-2H3
InChIKeyDSJAJTBWRFRFRT-UHFFFAOYSA-N
XLogP2.98
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one?
The IUPAC name of 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one (CID 177165682) is 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one.
What is the SMILES notation for 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one?
The canonical SMILES for 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one is COc1ccc2c(c1)C(=O)C(c1cccnc1)=C2c1cnn(C)c1.
What is the InChIKey of 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one?
The InChIKey is DSJAJTBWRFRFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c1-22-11-13(10-21-22)17-15-6-5-14(24-2)8-16(15)19(23)18(17)12-4-3-7-20-9-12/h3-11H,1-2H3.
What are the key properties of 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one?
6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one has a molecular weight of 317.35 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(1-methylpyrazol-4-yl)-2-pyridin-3-ylinden-1-one is sourced from PubChem (CID 177165682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).