(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H19F3N4O — CID 62076099

IUPAC(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCCc1[nH]nc(C(=O)N2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C13H19F3N4O/c1-2-4-9-10(17)11(19-18-9)12(21)20-6-3-5-8(7-20)13(14,15)16/h8H,2-7,17H2,1H3,(H,18,19)
InChIKeyPLYFHEIYHMQYGC-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.36
Rot. Bonds3

About (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 62076099) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID62076099
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCCc1[nH]nc(C(=O)N2CCCC(C(F)(F)F)C2)c1N
InChIInChI=1S/C13H19F3N4O/c1-2-4-9-10(17)11(19-18-9)12(21)20-6-3-5-8(7-20)13(14,15)16/h8H,2-7,17H2,1H3,(H,18,19)
InChIKeyPLYFHEIYHMQYGC-UHFFFAOYSA-N
XLogP2.36
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 62076099) is (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CCCc1[nH]nc(C(=O)N2CCCC(C(F)(F)F)C2)c1N.
What is the InChIKey of (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is PLYFHEIYHMQYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-2-4-9-10(17)11(19-18-9)12(21)20-6-3-5-8(7-20)13(14,15)16/h8H,2-7,17H2,1H3,(H,18,19).
What are the key properties of (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 304.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-propyl-1H-pyrazol-3-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 62076099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).