3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine

C11H14F3N5O — CID 174037648

IUPAC3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine
SMILES[H]/N=C(\C=C(N)c1cn[nH]c1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10-7(6-17-18-10)8(15)5-9(16)19-1-3-20-4-2-19/h5-6,16H,1-4,15H2,(H,17,18)/b8-5?,16-9+
InChIKeyQOCDIIPKGIHWEC-QYJBBIAJSA-N
MW289.26 g/mol
LogP1.04
Rot. Bonds2

About 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine

3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine (PubChem CID 174037648) has the molecular formula C11H14F3N5O and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine.

Molecular Properties

Compound Name3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine
PubChem CID174037648
Molecular FormulaC11H14F3N5O
Molecular Weight289.26 g/mol
Exact Mass289.12
IUPAC Name3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine
SMILES[H]/N=C(\C=C(N)c1cn[nH]c1C(F)(F)F)N1CCOCC1
InChIInChI=1S/C11H14F3N5O/c12-11(13,14)10-7(6-17-18-10)8(15)5-9(16)19-1-3-20-4-2-19/h5-6,16H,1-4,15H2,(H,17,18)/b8-5?,16-9+
InChIKeyQOCDIIPKGIHWEC-QYJBBIAJSA-N
XLogP1.04
TPSA91.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine?
The IUPAC name of 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine (CID 174037648) is 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine.
What is the SMILES notation for 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine?
The canonical SMILES for 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine is [H]/N=C(\C=C(N)c1cn[nH]c1C(F)(F)F)N1CCOCC1.
What is the InChIKey of 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine?
The InChIKey is QOCDIIPKGIHWEC-QYJBBIAJSA-N. The full InChI is InChI=1S/C11H14F3N5O/c12-11(13,14)10-7(6-17-18-10)8(15)5-9(16)19-1-3-20-4-2-19/h5-6,16H,1-4,15H2,(H,17,18)/b8-5?,16-9+.
What are the key properties of 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine?
3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine has a molecular weight of 289.26 g/mol, XLogP of 1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-3-morpholin-4-yl-1-[5-(trifluoromethyl)-1H-pyrazol-4-yl]prop-1-en-1-amine is sourced from PubChem (CID 174037648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).