2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

C11H16F2N2O — CID 129296344

IUPAC2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESCC(C)C1CCn2nc(C(F)F)cc2C1O
InChIInChI=1S/C11H16F2N2O/c1-6(2)7-3-4-15-9(10(7)16)5-8(14-15)11(12)13/h5-7,10-11,16H,3-4H2,1-2H3
InChIKeyKJOFQOOPXHVCNS-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.53
Rot. Bonds2

About 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol

2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (PubChem CID 129296344) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
PubChem CID129296344
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol
SMILESCC(C)C1CCn2nc(C(F)F)cc2C1O
InChIInChI=1S/C11H16F2N2O/c1-6(2)7-3-4-15-9(10(7)16)5-8(14-15)11(12)13/h5-7,10-11,16H,3-4H2,1-2H3
InChIKeyKJOFQOOPXHVCNS-UHFFFAOYSA-N
XLogP2.53
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The IUPAC name of 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol (CID 129296344) is 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol.
What is the SMILES notation for 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The canonical SMILES for 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is CC(C)C1CCn2nc(C(F)F)cc2C1O.
What is the InChIKey of 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
The InChIKey is KJOFQOOPXHVCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-6(2)7-3-4-15-9(10(7)16)5-8(14-15)11(12)13/h5-7,10-11,16H,3-4H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol?
2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol has a molecular weight of 230.26 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol is sourced from PubChem (CID 129296344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).