3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C9H14FN3 — CID 176693018

IUPAC3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)N1CCn2ncc(F)c2C1
InChIInChI=1S/C9H14FN3/c1-7(2)12-3-4-13-9(6-12)8(10)5-11-13/h5,7H,3-4,6H2,1-2H3
InChIKeySTTLWPBVYOULMP-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.25
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 176693018) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID176693018
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCC(C)N1CCn2ncc(F)c2C1
InChIInChI=1S/C9H14FN3/c1-7(2)12-3-4-13-9(6-12)8(10)5-11-13/h5,7H,3-4,6H2,1-2H3
InChIKeySTTLWPBVYOULMP-UHFFFAOYSA-N
XLogP1.25
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 176693018) is 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is CC(C)N1CCn2ncc(F)c2C1.
What is the InChIKey of 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is STTLWPBVYOULMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-7(2)12-3-4-13-9(6-12)8(10)5-11-13/h5,7H,3-4,6H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 183.23 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 176693018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).