2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol

C15H20F2N4O2 — CID 78318301

IUPAC2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C(C)(C)O
InChIInChI=1S/C15H20F2N4O2/c1-8(2)21-12(15(3,4)22)6-10(20-21)9-5-11(23-14(16)17)13(18)19-7-9/h5-8,14,22H,1-4H3,(H2,18,19)
InChIKeyPLOUFQTYXCNXCR-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.94
Rot. Bonds5

About 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol

2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol (PubChem CID 78318301) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
PubChem CID78318301
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol
SMILESCC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C(C)(C)O
InChIInChI=1S/C15H20F2N4O2/c1-8(2)21-12(15(3,4)22)6-10(20-21)9-5-11(23-14(16)17)13(18)19-7-9/h5-8,14,22H,1-4H3,(H2,18,19)
InChIKeyPLOUFQTYXCNXCR-UHFFFAOYSA-N
XLogP2.94
TPSA86.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol (CID 78318301) is 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol is CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C(C)(C)O.
What is the InChIKey of 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
The InChIKey is PLOUFQTYXCNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-8(2)21-12(15(3,4)22)6-10(20-21)9-5-11(23-14(16)17)13(18)19-7-9/h5-8,14,22H,1-4H3,(H2,18,19).
What are the key properties of 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol?
2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol has a molecular weight of 326.35 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]propan-2-ol is sourced from PubChem (CID 78318301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).