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

C17H21F3N6 — CID 78054568

IUPAC5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cc(C(F)(F)F)ccn2)cn1
InChIInChI=1S/C17H21F3N6/c1-2-26-9-10(7-23-26)13-6-12-15(8-22-13)24-25-16(12)14-5-11(3-4-21-14)17(18,19)20/h3-5,7,9,12-13,15-16,22,24-25H,2,6,8H2,1H3
InChIKeyKLOHGLQSPJWJOM-UHFFFAOYSA-N
MW366.39 g/mol
LogP2.19
Rot. Bonds3

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

5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (PubChem CID 78054568) has the molecular formula C17H21F3N6 and a molecular weight of 366.39 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
PubChem CID78054568
Molecular FormulaC17H21F3N6
Molecular Weight366.39 g/mol
Exact Mass366.18
IUPAC Name5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine
SMILESCCn1cc(C2CC3C(CN2)NNC3c2cc(C(F)(F)F)ccn2)cn1
InChIInChI=1S/C17H21F3N6/c1-2-26-9-10(7-23-26)13-6-12-15(8-22-13)24-25-16(12)14-5-11(3-4-21-14)17(18,19)20/h3-5,7,9,12-13,15-16,22,24-25H,2,6,8H2,1H3
InChIKeyKLOHGLQSPJWJOM-UHFFFAOYSA-N
XLogP2.19
TPSA66.80 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine (CID 78054568) is 5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-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-(trifluoromethyl)-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-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is CCn1cc(C2CC3C(CN2)NNC3c2cc(C(F)(F)F)ccn2)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
The InChIKey is KLOHGLQSPJWJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6/c1-2-26-9-10(7-23-26)13-6-12-15(8-22-13)24-25-16(12)14-5-11(3-4-21-14)17(18,19)20/h3-5,7,9,12-13,15-16,22,24-25H,2,6,8H2,1H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine?
5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine has a molecular weight of 366.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-3-[4-(trifluoromethyl)-2-pyridinyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrazolo[3,4-c]pyridine is sourced from PubChem (CID 78054568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).