1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

C14H16N4O — CID 95828281

IUPAC1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
InChIKeyZXIJCVCJLDGJRX-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.06
Rot. Bonds2

About 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone

1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (PubChem CID 95828281) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
PubChem CID95828281
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1
InChIInChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17)
InChIKeyZXIJCVCJLDGJRX-UHFFFAOYSA-N
XLogP2.06
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone (CID 95828281) is 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1.
What is the InChIKey of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
The InChIKey is ZXIJCVCJLDGJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10(19)18-8-7-13-12(9-18)14(17-16-13)15-11-5-3-2-4-6-11/h2-6H,7-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone?
1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone has a molecular weight of 256.31 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilino-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 95828281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).