[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

C13H18F3N3O2 — CID 56900165

IUPAC[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCOC(C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)5-9-6-10(18-17-9)12(20)19-3-4-21-11(7-19)13(14,15)16/h6,8,11H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyGFJJUEHPWRJWFL-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.01
Rot. Bonds3

About [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone

[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (PubChem CID 56900165) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
PubChem CID56900165
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Name[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCOC(C(F)(F)F)C2)n[nH]1
InChIInChI=1S/C13H18F3N3O2/c1-8(2)5-9-6-10(18-17-9)12(20)19-3-4-21-11(7-19)13(14,15)16/h6,8,11H,3-5,7H2,1-2H3,(H,17,18)
InChIKeyGFJJUEHPWRJWFL-UHFFFAOYSA-N
XLogP2.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The IUPAC name of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone (CID 56900165) is [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone.
What is the SMILES notation for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The canonical SMILES for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is CC(C)Cc1cc(C(=O)N2CCOC(C(F)(F)F)C2)n[nH]1.
What is the InChIKey of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
The InChIKey is GFJJUEHPWRJWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8(2)5-9-6-10(18-17-9)12(20)19-3-4-21-11(7-19)13(14,15)16/h6,8,11H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone?
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone has a molecular weight of 305.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methylpropyl)-1H-pyrazol-3-yl]-[2-(trifluoromethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 56900165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).