6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

C15H15F3N6 — CID 167792901

IUPAC6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(c3cc(N)n[nH]3)CC2)ccc1C(F)(F)F
InChIInChI=1S/C15H15F3N6/c16-15(17,18)10-1-2-14(21-12(10)8-19)24-5-3-9(4-6-24)11-7-13(20)23-22-11/h1-2,7,9H,3-6H2,(H3,20,22,23)
InChIKeyDBNOZWLNGSYGTE-UHFFFAOYSA-N
MW336.32 g/mol
LogP2.66
Rot. Bonds2

About 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile

6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 167792901) has the molecular formula C15H15F3N6 and a molecular weight of 336.32 g/mol. Its IUPAC name is 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID167792901
Molecular FormulaC15H15F3N6
Molecular Weight336.32 g/mol
Exact Mass336.13
IUPAC Name6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(N2CCC(c3cc(N)n[nH]3)CC2)ccc1C(F)(F)F
InChIInChI=1S/C15H15F3N6/c16-15(17,18)10-1-2-14(21-12(10)8-19)24-5-3-9(4-6-24)11-7-13(20)23-22-11/h1-2,7,9H,3-6H2,(H3,20,22,23)
InChIKeyDBNOZWLNGSYGTE-UHFFFAOYSA-N
XLogP2.66
TPSA94.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 167792901) is 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1nc(N2CCC(c3cc(N)n[nH]3)CC2)ccc1C(F)(F)F.
What is the InChIKey of 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is DBNOZWLNGSYGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6/c16-15(17,18)10-1-2-14(21-12(10)8-19)24-5-3-9(4-6-24)11-7-13(20)23-22-11/h1-2,7,9H,3-6H2,(H3,20,22,23).
What are the key properties of 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile?
6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 336.32 g/mol, XLogP of 2.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 167792901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).