3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine

C16H18F2N4 — CID 126834124

IUPAC3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine
SMILESCn1cc(CN2CCC(=C(F)F)CC2)c(-c2cccnc2)n1
InChIInChI=1S/C16H18F2N4/c1-21-10-14(15(20-21)13-3-2-6-19-9-13)11-22-7-4-12(5-8-22)16(17)18/h2-3,6,9-10H,4-5,7-8,11H2,1H3
InChIKeyONJZDFFGSHDROW-UHFFFAOYSA-N
MW304.34 g/mol
LogP3.23
Rot. Bonds3

About 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine

3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine (PubChem CID 126834124) has the molecular formula C16H18F2N4 and a molecular weight of 304.34 g/mol. Its IUPAC name is 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine
PubChem CID126834124
Molecular FormulaC16H18F2N4
Molecular Weight304.34 g/mol
Exact Mass304.15
IUPAC Name3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine
SMILESCn1cc(CN2CCC(=C(F)F)CC2)c(-c2cccnc2)n1
InChIInChI=1S/C16H18F2N4/c1-21-10-14(15(20-21)13-3-2-6-19-9-13)11-22-7-4-12(5-8-22)16(17)18/h2-3,6,9-10H,4-5,7-8,11H2,1H3
InChIKeyONJZDFFGSHDROW-UHFFFAOYSA-N
XLogP3.23
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine?
The IUPAC name of 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine (CID 126834124) is 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine.
What is the SMILES notation for 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine?
The canonical SMILES for 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine is Cn1cc(CN2CCC(=C(F)F)CC2)c(-c2cccnc2)n1.
What is the InChIKey of 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine?
The InChIKey is ONJZDFFGSHDROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N4/c1-21-10-14(15(20-21)13-3-2-6-19-9-13)11-22-7-4-12(5-8-22)16(17)18/h2-3,6,9-10H,4-5,7-8,11H2,1H3.
What are the key properties of 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine?
3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine has a molecular weight of 304.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1-methylpyrazol-3-yl]pyridine is sourced from PubChem (CID 126834124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).