[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone

C13H14F3N5O2 — CID 155551412

IUPAC[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESNc1cc(C2CCCN(C(=O)c3cc(C(F)(F)F)no3)C2)[nH]n1
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)10-5-9(23-20-10)12(22)21-3-1-2-7(6-21)8-4-11(17)19-18-8/h4-5,7H,1-3,6H2,(H3,17,18,19)
InChIKeyIDDKJVQQRXHITM-UHFFFAOYSA-N
MW329.28 g/mol
LogP2.02
Rot. Bonds2

About [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone

[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (PubChem CID 155551412) has the molecular formula C13H14F3N5O2 and a molecular weight of 329.28 g/mol. Its IUPAC name is [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
PubChem CID155551412
Molecular FormulaC13H14F3N5O2
Molecular Weight329.28 g/mol
Exact Mass329.11
IUPAC Name[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone
SMILESNc1cc(C2CCCN(C(=O)c3cc(C(F)(F)F)no3)C2)[nH]n1
InChIInChI=1S/C13H14F3N5O2/c14-13(15,16)10-5-9(23-20-10)12(22)21-3-1-2-7(6-21)8-4-11(17)19-18-8/h4-5,7H,1-3,6H2,(H3,17,18,19)
InChIKeyIDDKJVQQRXHITM-UHFFFAOYSA-N
XLogP2.02
TPSA101.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.28
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The IUPAC name of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone (CID 155551412) is [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone.
What is the SMILES notation for [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The canonical SMILES for [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is Nc1cc(C2CCCN(C(=O)c3cc(C(F)(F)F)no3)C2)[nH]n1.
What is the InChIKey of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
The InChIKey is IDDKJVQQRXHITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5O2/c14-13(15,16)10-5-9(23-20-10)12(22)21-3-1-2-7(6-21)8-4-11(17)19-18-8/h4-5,7H,1-3,6H2,(H3,17,18,19).
What are the key properties of [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone?
[3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone has a molecular weight of 329.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)-1,2-oxazol-5-yl]methanone is sourced from PubChem (CID 155551412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).