N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

C16H14F3N5O2 — CID 154887071

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(NCc2ccccc2-n2cccn2)nc1
InChIInChI=1S/C14H13N5.C2HF3O2/c1-2-6-13(19-10-4-9-18-19)12(5-1)11-17-14-15-7-3-8-16-14;3-2(4,5)1(6)7/h1-10H,11H2,(H,15,16,17);(H,6,7)
InChIKeyWIIDVZUAFPITKO-UHFFFAOYSA-N
MW365.32 g/mol
LogP2.91
Rot. Bonds4

About N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid

N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 154887071) has the molecular formula C16H14F3N5O2 and a molecular weight of 365.32 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID154887071
Molecular FormulaC16H14F3N5O2
Molecular Weight365.32 g/mol
Exact Mass365.11
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(NCc2ccccc2-n2cccn2)nc1
InChIInChI=1S/C14H13N5.C2HF3O2/c1-2-6-13(19-10-4-9-18-19)12(5-1)11-17-14-15-7-3-8-16-14;3-2(4,5)1(6)7/h1-10H,11H2,(H,15,16,17);(H,6,7)
InChIKeyWIIDVZUAFPITKO-UHFFFAOYSA-N
XLogP2.91
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;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

Related Compounds

tert-butyl N-[(2-pyrazol-1-ylphenyl)methyl]carbamate
CID 63789237
N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-4-amine
CID 61167306
2-amino-2-methyl-N-[(2-pyrazol-1-ylphenyl)methyl]pentanamide
CID 61165757
N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]pyrimidin-2-amine
CID 133375460
1-(2-pyrazol-1-ylphenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 61167894
5-chloro-N-[(2-pyrazol-1-ylphenyl)methyl]pyridin-2-amine
CID 61166350
methyl 2-[(2-pyrazol-1-ylphenyl)methylamino]acetate
CID 61167303
5-phenyl-N-[(2-pyrazol-1-ylphenyl)methyl]-1,2,4-oxadiazol-3-amine
CID 133482509
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
2-fluoro-N-[(2-pyrazol-1-ylphenyl)methyl]ethanamine
CID 80693727
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332

Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid (CID 154887071) is N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc(NCc2ccccc2-n2cccn2)nc1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is WIIDVZUAFPITKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5.C2HF3O2/c1-2-6-13(19-10-4-9-18-19)12(5-1)11-17-14-15-7-3-8-16-14;3-2(4,5)1(6)7/h1-10H,11H2,(H,15,16,17);(H,6,7).
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid?
N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 365.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 154887071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).