1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid

C12H19F3N4O3 — CID 155225167

IUPAC1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(NCCN2CCOCC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4O.C2HF3O2/c1-13-9-10(8-12-13)11-2-3-14-4-6-15-7-5-14;3-2(4,5)1(6)7/h8-9,11H,2-7H2,1H3;(H,6,7)
InChIKeyAHAVIPKIDMOZBL-UHFFFAOYSA-N
MW324.30 g/mol
LogP0.80
Rot. Bonds4

About 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid

1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225167) has the molecular formula C12H19F3N4O3 and a molecular weight of 324.30 g/mol. Its IUPAC name is 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225167
Molecular FormulaC12H19F3N4O3
Molecular Weight324.30 g/mol
Exact Mass324.14
IUPAC Name1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCn1cc(NCCN2CCOCC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4O.C2HF3O2/c1-13-9-10(8-12-13)11-2-3-14-4-6-15-7-5-14;3-2(4,5)1(6)7/h8-9,11H,2-7H2,1H3;(H,6,7)
InChIKeyAHAVIPKIDMOZBL-UHFFFAOYSA-N
XLogP0.80
TPSA79.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid (CID 155225167) is 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid is Cn1cc(NCCN2CCOCC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is AHAVIPKIDMOZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.C2HF3O2/c1-13-9-10(8-12-13)11-2-3-14-4-6-15-7-5-14;3-2(4,5)1(6)7/h8-9,11H,2-7H2,1H3;(H,6,7).
What are the key properties of 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid?
1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 324.30 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-morpholin-4-ylethyl)pyrazol-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).