[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

C13H12ClF3N4O — CID 91792063

IUPAC[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C13H12ClF3N4O/c14-11-3-8(13(15,16)17)5-18-12(11)20-1-2-21-10(6-20)4-9(7-22)19-21/h3-5,22H,1-2,6-7H2
InChIKeyUWIXWJHRCMSXBL-UHFFFAOYSA-N
MW332.71 g/mol
LogP2.46
Rot. Bonds2

About [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol

[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (PubChem CID 91792063) has the molecular formula C13H12ClF3N4O and a molecular weight of 332.71 g/mol. Its IUPAC name is [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
PubChem CID91792063
Molecular FormulaC13H12ClF3N4O
Molecular Weight332.71 g/mol
Exact Mass332.07
IUPAC Name[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
SMILESOCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2
InChIInChI=1S/C13H12ClF3N4O/c14-11-3-8(13(15,16)17)5-18-12(11)20-1-2-21-10(6-20)4-9(7-22)19-21/h3-5,22H,1-2,6-7H2
InChIKeyUWIXWJHRCMSXBL-UHFFFAOYSA-N
XLogP2.46
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.71
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The IUPAC name of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol (CID 91792063) is [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol.
What is the SMILES notation for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The canonical SMILES for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is OCc1cc2n(n1)CCN(c1ncc(C(F)(F)F)cc1Cl)C2.
What is the InChIKey of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
The InChIKey is UWIXWJHRCMSXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N4O/c14-11-3-8(13(15,16)17)5-18-12(11)20-1-2-21-10(6-20)4-9(7-22)19-21/h3-5,22H,1-2,6-7H2.
What are the key properties of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol?
[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol has a molecular weight of 332.71 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol is sourced from PubChem (CID 91792063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).