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

C17H24N6O — CID 123133208

IUPAC[2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cc(CO)ccn2)cn1
InChIInChI=1S/C17H24N6O/c1-2-23-9-12(7-20-23)14-6-13-16(8-19-14)21-22-17(13)15-5-11(10-24)3-4-18-15/h3-5,7,9,13-14,16-17,19,21-22,24H,2,6,8,10H2,1H3
InChIKeyJRAMKJJNWFRXMS-UHFFFAOYSA-N
MW328.42 g/mol
LogP0.66
Rot. Bonds4

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

[2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol (PubChem CID 123133208) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol
PubChem CID123133208
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name[2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cc(CO)ccn2)cn1
InChIInChI=1S/C17H24N6O/c1-2-23-9-12(7-20-23)14-6-13-16(8-19-14)21-22-17(13)15-5-11(10-24)3-4-18-15/h3-5,7,9,13-14,16-17,19,21-22,24H,2,6,8,10H2,1H3
InChIKeyJRAMKJJNWFRXMS-UHFFFAOYSA-N
XLogP0.66
TPSA87.03 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 50.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol?
The IUPAC name of [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol (CID 123133208) is [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol?
The canonical SMILES for [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol is CCn1cc(C2CC3C(CN2)NNC3c2cc(CO)ccn2)cn1.
What is the InChIKey of [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol?
The InChIKey is JRAMKJJNWFRXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-2-23-9-12(7-20-23)14-6-13-16(8-19-14)21-22-17(13)15-5-11(10-24)3-4-18-15/h3-5,7,9,13-14,16-17,19,21-22,24H,2,6,8,10H2,1H3.
What are the key properties of [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol?
[2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol has a molecular weight of 328.42 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(1-ethylpyrazol-4-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridin-3-yl]-4-pyridinyl]methanol is sourced from PubChem (CID 123133208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).