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

C14H16F3N5O — CID 134799114

IUPAC1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)9-19-13(23)10-3-7-21(8-4-10)12-2-5-18-11-1-6-20-22(11)12/h1-2,5-6,10H,3-4,7-9H2,(H,19,23)
InChIKeyMWDOTVLOTPUARH-UHFFFAOYSA-N
MW327.31 g/mol
LogP1.62
Rot. Bonds3

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

1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 134799114) has the molecular formula C14H16F3N5O and a molecular weight of 327.31 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID134799114
Molecular FormulaC14H16F3N5O
Molecular Weight327.31 g/mol
Exact Mass327.13
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(c2ccnc3ccnn23)CC1
InChIInChI=1S/C14H16F3N5O/c15-14(16,17)9-19-13(23)10-3-7-21(8-4-10)12-2-5-18-11-1-6-20-22(11)12/h1-2,5-6,10H,3-4,7-9H2,(H,19,23)
InChIKeyMWDOTVLOTPUARH-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 134799114) is 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(c2ccnc3ccnn23)CC1.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is MWDOTVLOTPUARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O/c15-14(16,17)9-19-13(23)10-3-7-21(8-4-10)12-2-5-18-11-1-6-20-22(11)12/h1-2,5-6,10H,3-4,7-9H2,(H,19,23).
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrimidin-7-yl-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 134799114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).