1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine

C16H25F3N4O — CID 86794455

IUPAC1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
SMILESFC(F)(F)C1CCC(Nc2cnn(CCN3CCOCC3)c2)CC1
InChIInChI=1S/C16H25F3N4O/c17-16(18,19)13-1-3-14(4-2-13)21-15-11-20-23(12-15)6-5-22-7-9-24-10-8-22/h11-14,21H,1-10H2
InChIKeyUFGYPBBSLRRNFK-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.75
Rot. Bonds5

About 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine

1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine (PubChem CID 86794455) has the molecular formula C16H25F3N4O and a molecular weight of 346.40 g/mol. Its IUPAC name is 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
PubChem CID86794455
Molecular FormulaC16H25F3N4O
Molecular Weight346.40 g/mol
Exact Mass346.20
IUPAC Name1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine
SMILESFC(F)(F)C1CCC(Nc2cnn(CCN3CCOCC3)c2)CC1
InChIInChI=1S/C16H25F3N4O/c17-16(18,19)13-1-3-14(4-2-13)21-15-11-20-23(12-15)6-5-22-7-9-24-10-8-22/h11-14,21H,1-10H2
InChIKeyUFGYPBBSLRRNFK-UHFFFAOYSA-N
XLogP2.75
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-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 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The IUPAC name of 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine (CID 86794455) is 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine.
What is the SMILES notation for 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The canonical SMILES for 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine is FC(F)(F)C1CCC(Nc2cnn(CCN3CCOCC3)c2)CC1.
What is the InChIKey of 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
The InChIKey is UFGYPBBSLRRNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O/c17-16(18,19)13-1-3-14(4-2-13)21-15-11-20-23(12-15)6-5-22-7-9-24-10-8-22/h11-14,21H,1-10H2.
What are the key properties of 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine?
1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine has a molecular weight of 346.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-morpholin-4-ylethyl)-N-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-amine is sourced from PubChem (CID 86794455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).