(2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C14H21N3O2 — CID 136521806

IUPAC(2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCC1CC(C(=O)N2CCc3[nH]ncc3C2)CCO1
InChIInChI=1S/C14H21N3O2/c1-2-12-7-10(4-6-19-12)14(18)17-5-3-13-11(9-17)8-15-16-13/h8,10,12H,2-7,9H2,1H3,(H,15,16)
InChIKeyPNHZPKVKBJIICN-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.50
Rot. Bonds2

About (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

(2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 136521806) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID136521806
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESCCC1CC(C(=O)N2CCc3[nH]ncc3C2)CCO1
InChIInChI=1S/C14H21N3O2/c1-2-12-7-10(4-6-19-12)14(18)17-5-3-13-11(9-17)8-15-16-13/h8,10,12H,2-7,9H2,1H3,(H,15,16)
InChIKeyPNHZPKVKBJIICN-UHFFFAOYSA-N
XLogP1.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 136521806) is (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is CCC1CC(C(=O)N2CCc3[nH]ncc3C2)CCO1.
What is the InChIKey of (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is PNHZPKVKBJIICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-2-12-7-10(4-6-19-12)14(18)17-5-3-13-11(9-17)8-15-16-13/h8,10,12H,2-7,9H2,1H3,(H,15,16).
What are the key properties of (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
(2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyloxan-4-yl)-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 136521806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).