2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile

C16H19F2N5 — CID 90286626

IUPAC2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C(C)(C)C#N
InChIInChI=1S/C16H19F2N5/c1-9(2)23-13(16(3,4)8-19)6-12(22-23)10-5-11(14(17)18)15(20)21-7-10/h5-7,9,14H,1-4H3,(H2,20,21)
InChIKeyAJBBAWAQAKKDPE-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.85
Rot. Bonds4

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

2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile (PubChem CID 90286626) has the molecular formula C16H19F2N5 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile
PubChem CID90286626
Molecular FormulaC16H19F2N5
Molecular Weight319.36 g/mol
Exact Mass319.16
IUPAC Name2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile
SMILESCC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C(C)(C)C#N
InChIInChI=1S/C16H19F2N5/c1-9(2)23-13(16(3,4)8-19)6-12(22-23)10-5-11(14(17)18)15(20)21-7-10/h5-7,9,14H,1-4H3,(H2,20,21)
InChIKeyAJBBAWAQAKKDPE-UHFFFAOYSA-N
XLogP3.85
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
The IUPAC name of 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile (CID 90286626) is 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile.
What is the SMILES notation for 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
The canonical SMILES for 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile is CC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C(C)(C)C#N.
What is the InChIKey of 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
The InChIKey is AJBBAWAQAKKDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N5/c1-9(2)23-13(16(3,4)8-19)6-12(22-23)10-5-11(14(17)18)15(20)21-7-10/h5-7,9,14H,1-4H3,(H2,20,21).
What are the key properties of 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile?
2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile has a molecular weight of 319.36 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[6-amino-5-(difluoromethyl)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]-2-methylpropanenitrile is sourced from PubChem (CID 90286626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).