[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

C10H15F3N4O — CID 1485639

IUPAC[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(CN)c1N1CCOCC1
InChIInChI=1S/C10H15F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-6,14H2,1H3
InChIKeySPIFXKQYAOABQZ-UHFFFAOYSA-N
MW264.25 g/mol
LogP0.73
Rot. Bonds2

About [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine

[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (PubChem CID 1485639) has the molecular formula C10H15F3N4O and a molecular weight of 264.25 g/mol. Its IUPAC name is [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
PubChem CID1485639
Molecular FormulaC10H15F3N4O
Molecular Weight264.25 g/mol
Exact Mass264.12
IUPAC Name[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine
SMILESCn1nc(C(F)(F)F)c(CN)c1N1CCOCC1
InChIInChI=1S/C10H15F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-6,14H2,1H3
InChIKeySPIFXKQYAOABQZ-UHFFFAOYSA-N
XLogP0.73
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The IUPAC name of [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine (CID 1485639) is [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine.
What is the SMILES notation for [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The canonical SMILES for [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is Cn1nc(C(F)(F)F)c(CN)c1N1CCOCC1.
What is the InChIKey of [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
The InChIKey is SPIFXKQYAOABQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N4O/c1-16-9(17-2-4-18-5-3-17)7(6-14)8(15-16)10(11,12)13/h2-6,14H2,1H3.
What are the key properties of [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine?
[1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine has a molecular weight of 264.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-methyl-5-morpholin-4-yl-3-(trifluoromethyl)pyrazol-4-yl]methanamine is sourced from PubChem (CID 1485639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).