(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

C13H19F3N4O — CID 66124455

IUPAC(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-3-20-11(10(17)8(2)18-20)12(21)19-6-4-5-9(7-19)13(14,15)16/h9H,3-7,17H2,1-2H3
InChIKeySEHPQPRZUPGKPG-UHFFFAOYSA-N
MW304.32 g/mol
LogP2.21
Rot. Bonds2

About (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone

(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 66124455) has the molecular formula C13H19F3N4O and a molecular weight of 304.32 g/mol. Its IUPAC name is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
PubChem CID66124455
Molecular FormulaC13H19F3N4O
Molecular Weight304.32 g/mol
Exact Mass304.15
IUPAC Name(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
SMILESCCn1nc(C)c(N)c1C(=O)N1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H19F3N4O/c1-3-20-11(10(17)8(2)18-20)12(21)19-6-4-5-9(7-19)13(14,15)16/h9H,3-7,17H2,1-2H3
InChIKeySEHPQPRZUPGKPG-UHFFFAOYSA-N
XLogP2.21
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The IUPAC name of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone (CID 66124455) is (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The canonical SMILES for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is CCn1nc(C)c(N)c1C(=O)N1CCCC(C(F)(F)F)C1.
What is the InChIKey of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
The InChIKey is SEHPQPRZUPGKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4O/c1-3-20-11(10(17)8(2)18-20)12(21)19-6-4-5-9(7-19)13(14,15)16/h9H,3-7,17H2,1-2H3.
What are the key properties of (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone?
(4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone has a molecular weight of 304.32 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethyl-3-methylpyrazol-5-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 66124455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).