2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile

C12H16F3N5 — CID 172721159

IUPAC2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
SMILESN#CCC1(n2ccc(N)n2)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)9-19-7-3-11(2-5-16,4-8-19)20-6-1-10(17)18-20/h1,6H,2-4,7-9H2,(H2,17,18)
InChIKeyGNKMKDGVSYLJFP-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.73
Rot. Bonds3

About 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile

2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile (PubChem CID 172721159) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
PubChem CID172721159
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile
SMILESN#CCC1(n2ccc(N)n2)CCN(CC(F)(F)F)CC1
InChIInChI=1S/C12H16F3N5/c13-12(14,15)9-19-7-3-11(2-5-16,4-8-19)20-6-1-10(17)18-20/h1,6H,2-4,7-9H2,(H2,17,18)
InChIKeyGNKMKDGVSYLJFP-UHFFFAOYSA-N
XLogP1.73
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-Methyl-4-piperidinyl)-1H-pyrazol-3-amine
CID 84657588
1-(2,2-difluoroethyl)-N-[(1S)-1-(1-methylpiperidin-4-yl)ethyl]pyrazol-3-amine
CID 97797578
5,5,5-Trifluoro-2-isocyano-2-[(3-isocyanopyrazol-1-yl)methyl]pentanenitrile
CID 57712381
2-[3-[3-(Methylamino)pyrazol-1-yl]-1-(2,2,2-trifluoroethyl)azetidin-3-yl]acetonitrile
CID 163865724
N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54921206
1-[3-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]propyl]pyrazol-3-amine
CID 63310519
1-[2-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]ethyl]pyrazol-3-amine
CID 63316318
1-[2-[4-(Trifluoromethyl)piperidin-1-yl]ethyl]pyrazol-3-amine
CID 65534014
1-[3-[3-(Trifluoromethyl)piperidin-1-yl]propyl]pyrazol-3-amine
CID 65534977
1-[2-[3-(Trifluoromethyl)piperidin-1-yl]ethyl]pyrazol-3-amine
CID 65535555
1-[3-[4-(Trifluoromethyl)piperidin-1-yl]propyl]pyrazol-3-amine
CID 65535963
N-[1-(2,2-difluoroethyl)pyrazol-3-yl]-1-propan-2-ylpiperidin-4-amine
CID 75502750

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile (CID 172721159) is 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile is N#CCC1(n2ccc(N)n2)CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
The InChIKey is GNKMKDGVSYLJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c13-12(14,15)9-19-7-3-11(2-5-16,4-8-19)20-6-1-10(17)18-20/h1,6H,2-4,7-9H2,(H2,17,18).
What are the key properties of 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile?
2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile has a molecular weight of 287.29 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopyrazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-yl]acetonitrile is sourced from PubChem (CID 172721159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).