[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone

C16H17F3N4O2 — CID 92570374

IUPAC[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
SMILESNc1c(C(=O)C2CCNCC2)cnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)23-15(20)13(9-22-23)14(24)10-5-7-21-8-6-10/h1-4,9-10,21H,5-8,20H2
InChIKeyOOUGXIZAHWLQEM-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.54
Rot. Bonds4

About [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone

[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone (PubChem CID 92570374) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
PubChem CID92570374
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
SMILESNc1c(C(=O)C2CCNCC2)cnn1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)23-15(20)13(9-22-23)14(24)10-5-7-21-8-6-10/h1-4,9-10,21H,5-8,20H2
InChIKeyOOUGXIZAHWLQEM-UHFFFAOYSA-N
XLogP2.54
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone?
The IUPAC name of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone (CID 92570374) is [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone is Nc1c(C(=O)C2CCNCC2)cnn1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone?
The InChIKey is OOUGXIZAHWLQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)25-12-3-1-11(2-4-12)23-15(20)13(9-22-23)14(24)10-5-7-21-8-6-10/h1-4,9-10,21H,5-8,20H2.
What are the key properties of [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone?
[5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone has a molecular weight of 354.33 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 92570374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).