5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

C17H24N6O — CID 123133198

IUPAC5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cc(OC)ccn2)cn1
InChIInChI=1S/C17H24N6O/c1-3-23-10-11(8-20-23)14-7-13-16(9-19-14)21-22-17(13)15-6-12(24-2)4-5-18-15/h4-6,8,10,13-14,16-17,19,21-22H,3,7,9H2,1-2H3
InChIKeyPGBKRLGPMRSUCI-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.17
Rot. Bonds4

About 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine

5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 123133198) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID123133198
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cc(OC)ccn2)cn1
InChIInChI=1S/C17H24N6O/c1-3-23-10-11(8-20-23)14-7-13-16(9-19-14)21-22-17(13)15-6-12(24-2)4-5-18-15/h4-6,8,10,13-14,16-17,19,21-22H,3,7,9H2,1-2H3
InChIKeyPGBKRLGPMRSUCI-UHFFFAOYSA-N
XLogP1.17
TPSA76.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 123133198) is 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is CCn1cc(C2CC3C(CN2)NNC3c2cc(OC)ccn2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is PGBKRLGPMRSUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-23-10-11(8-20-23)14-7-13-16(9-19-14)21-22-17(13)15-6-12(24-2)4-5-18-15/h4-6,8,10,13-14,16-17,19,21-22H,3,7,9H2,1-2H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 328.42 g/mol, XLogP of 1.17, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-3-(4-methoxy-2-pyridinyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 123133198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).