3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one

C20H20N4O — CID 23052304

IUPAC3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCC1(C)C(=O)NN=C1c1ccc2c(c1)C(C)(C)C(c1ccncc1)=N2
InChIInChI=1S/C20H20N4O/c1-19(2)14-11-13(17-20(3,4)18(25)24-23-17)5-6-15(14)22-16(19)12-7-9-21-10-8-12/h5-11H,1-4H3,(H,24,25)
InChIKeyMZPMBNFONLXLFA-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.35
Rot. Bonds2

About 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one

3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one (PubChem CID 23052304) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one
PubChem CID23052304
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one
SMILESCC1(C)C(=O)NN=C1c1ccc2c(c1)C(C)(C)C(c1ccncc1)=N2
InChIInChI=1S/C20H20N4O/c1-19(2)14-11-13(17-20(3,4)18(25)24-23-17)5-6-15(14)22-16(19)12-7-9-21-10-8-12/h5-11H,1-4H3,(H,24,25)
InChIKeyMZPMBNFONLXLFA-UHFFFAOYSA-N
XLogP3.35
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The IUPAC name of 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one (CID 23052304) is 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one is CC1(C)C(=O)NN=C1c1ccc2c(c1)C(C)(C)C(c1ccncc1)=N2.
What is the InChIKey of 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one?
The InChIKey is MZPMBNFONLXLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-19(2)14-11-13(17-20(3,4)18(25)24-23-17)5-6-15(14)22-16(19)12-7-9-21-10-8-12/h5-11H,1-4H3,(H,24,25).
What are the key properties of 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one?
3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one has a molecular weight of 332.41 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethyl-2-pyridin-4-ylindol-5-yl)-4,4-dimethyl-1H-pyrazol-5-one is sourced from PubChem (CID 23052304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).