1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid

C12H19F3N4O2 — CID 155225186

IUPAC1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1CNc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4.C2HF3O2/c1-13-5-3-4-10(13)7-11-9-6-12-14(2)8-9;3-2(4,5)1(6)7/h6,8,10-11H,3-5,7H2,1-2H3;(H,6,7)
InChIKeyCIILYSJLPNNVFK-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.56
Rot. Bonds3

About 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid

1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 155225186) has the molecular formula C12H19F3N4O2 and a molecular weight of 308.30 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
PubChem CID155225186
Molecular FormulaC12H19F3N4O2
Molecular Weight308.30 g/mol
Exact Mass308.15
IUPAC Name1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid
SMILESCN1CCCC1CNc1cnn(C)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H18N4.C2HF3O2/c1-13-5-3-4-10(13)7-11-9-6-12-14(2)8-9;3-2(4,5)1(6)7/h6,8,10-11H,3-5,7H2,1-2H3;(H,6,7)
InChIKeyCIILYSJLPNNVFK-UHFFFAOYSA-N
XLogP1.56
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid (CID 155225186) is 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid is CN1CCCC1CNc1cnn(C)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is CIILYSJLPNNVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.C2HF3O2/c1-13-5-3-4-10(13)7-11-9-6-12-14(2)8-9;3-2(4,5)1(6)7/h6,8,10-11H,3-5,7H2,1-2H3;(H,6,7).
What are the key properties of 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid?
1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 308.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazol-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155225186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).