N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid

C17H19F4N3O2 — CID 154887169

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccc(F)cc1)Cc1cc(C2CC2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18FN3.C2HF3O2/c1-19(9-11-2-6-13(16)7-3-11)10-14-8-15(18-17-14)12-4-5-12;3-2(4,5)1(6)7/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,17,18);(H,6,7)
InChIKeyZAKZMCYXPKNBIM-UHFFFAOYSA-N
MW373.35 g/mol
LogP3.69
Rot. Bonds5

About N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid (PubChem CID 154887169) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
PubChem CID154887169
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid
SMILESCN(Cc1ccc(F)cc1)Cc1cc(C2CC2)n[nH]1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H18FN3.C2HF3O2/c1-19(9-11-2-6-13(16)7-3-11)10-14-8-15(18-17-14)12-4-5-12;3-2(4,5)1(6)7/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,17,18);(H,6,7)
InChIKeyZAKZMCYXPKNBIM-UHFFFAOYSA-N
XLogP3.69
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid (CID 154887169) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid is CN(Cc1ccc(F)cc1)Cc1cc(C2CC2)n[nH]1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?
The InChIKey is ZAKZMCYXPKNBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3.C2HF3O2/c1-19(9-11-2-6-13(16)7-3-11)10-14-8-15(18-17-14)12-4-5-12;3-2(4,5)1(6)7/h2-3,6-8,12H,4-5,9-10H2,1H3,(H,17,18);(H,6,7).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid has a molecular weight of 373.35 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).