N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C14H16F3N5O — CID 56788966

IUPACN-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)9-21-7-3-10(4-8-21)13(23)20-12-1-5-18-11-2-6-19-22(11)12/h1-2,5-6,10H,3-4,7-9H2,(H,20,23)
InChIKeyKNXACOSMYLVZRU-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.94
Rot. Bonds3

About N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 56788966) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID56788966
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC NameN-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccnc2ccnn12)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)9-21-7-3-10(4-8-21)13(23)20-12-1-5-18-11-2-6-19-22(11)12/h1-2,5-6,10H,3-4,7-9H2,(H,20,23)
InChIKeyKNXACOSMYLVZRU-UHFFFAOYSA-N
XLogP1.94
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 71810847
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134799114
N-(cyclohexylmethyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylazetidine-3-carboxamide
CID 134796951
N-cycloheptyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134797553
N-(6-(1H-1,2,4-triazol-1-yl)pyrimidin-4-yl)-1-(6-(1H-pyrazol-1-yl)pyrimidin-4-yl)piperidine-4-carboxamide
CID 71805453
1-(4-Pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)butan-1-one
CID 110874046
2-Methyl-1-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)propan-1-one
CID 110874047
Cyclopropyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874048
Cyclopentyl-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperazin-1-yl)methanone
CID 110874054
N-prop-2-ynyl-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134795962
N-(3-methoxypropyl)-1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidine-3-carboxamide
CID 134796146
2-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-3-yl)propanamide
CID 134796243

Frequently Asked Questions

What is the IUPAC name of N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 56788966) is N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(Nc1ccnc2ccnn12)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is KNXACOSMYLVZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)9-21-7-3-10(4-8-21)13(23)20-12-1-5-18-11-2-6-19-22(11)12/h1-2,5-6,10H,3-4,7-9H2,(H,20,23).
What are the key properties of N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrazolo[1,5-a]pyrimidin-7-yl-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 56788966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).