N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid

C18H20F3N5O2 — CID 154886914

IUPACN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N5.C2HF3O2/c1-12-8-14(18-17-12)10-21(2)11-15-9-16(20-19-15)13-6-4-3-5-7-13;3-2(4,5)1(6)7/h3-9H,10-11H2,1-2H3,(H,17,18)(H,19,20);(H,6,7)
InChIKeyAUQPQMMTDFFNHF-UHFFFAOYSA-N
MW395.39 g/mol
LogP3.37
Rot. Bonds5

About N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid

N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid (PubChem CID 154886914) has the molecular formula C18H20F3N5O2 and a molecular weight of 395.39 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
PubChem CID154886914
Molecular FormulaC18H20F3N5O2
Molecular Weight395.39 g/mol
Exact Mass395.16
IUPAC NameN-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H19N5.C2HF3O2/c1-12-8-14(18-17-12)10-21(2)11-15-9-16(20-19-15)13-6-4-3-5-7-13;3-2(4,5)1(6)7/h3-9H,10-11H2,1-2H3,(H,17,18)(H,19,20);(H,6,7)
InChIKeyAUQPQMMTDFFNHF-UHFFFAOYSA-N
XLogP3.37
TPSA97.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid 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 N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid (CID 154886914) is N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid is Cc1cc(CN(C)Cc2cc(-c3ccccc3)n[nH]2)n[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is AUQPQMMTDFFNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5.C2HF3O2/c1-12-8-14(18-17-12)10-21(2)11-15-9-16(20-19-15)13-6-4-3-5-7-13;3-2(4,5)1(6)7/h3-9H,10-11H2,1-2H3,(H,17,18)(H,19,20);(H,6,7).
What are the key properties of N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid?
N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 395.39 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]-1-(3-phenyl-1H-pyrazol-5-yl)methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154886914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).