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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Related Compounds

6-[4-[4-hydroxy-6-oxo-4-(trifluoromethyl)-5,7-dihydro-2H-pyrazolo[3,4-b]pyridin-3-yl]piperidin-1-yl]-3-(trifluoromethyl)pyridine-2-carbonitrile
CID 136968666
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-N,N-dimethyl-2-(trifluoromethyl)benzamide
CID 118020362
5-[1-[5-(difluoromethoxy)-2-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
CID 118020611
5-[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 71976428
5-[1-(5-fluoro-3-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 141401616
5-[1-[6-(fluoromethyl)-3-pyridinyl]piperidin-4-yl]-1H-pyrazol-3-amine
CID 118121617
5-[1-(2-ethylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-yl]-1H-pyrazol-3-amine
CID 133403957
4-chloro-6-[4-(3-thiophen-2-yl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
CID 3261158
1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-amine
CID 91811818
[5-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-1H-pyrazol-3-yl]carbamic acid
CID 118020403
6-[3-[3-(trifluoromethyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrido[3,2-d]pyrimidin-4-amine
CID 90055012
molecular hydrogen;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 159854575

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).