4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine

C23H19ClF3N5 — CID 175541570

IUPAC4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine
SMILESNCC(c1ccc(C(F)(F)F)cc1)n1cc(-c2ccnc(N)c2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H19ClF3N5/c24-18-7-3-15(4-8-18)21-19(9-10-30-22(21)29)16-12-31-32(13-16)20(11-28)14-1-5-17(6-2-14)23(25,26)27/h1-10,12-13,20H,11,28H2,(H2,29,30)
InChIKeySATDRSJJODYVOL-UHFFFAOYSA-N
MW457.89 g/mol
LogP5.41
Rot. Bonds5

About 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine

4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine (PubChem CID 175541570) has the molecular formula C23H19ClF3N5 and a molecular weight of 457.89 g/mol. Its IUPAC name is 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine
PubChem CID175541570
Molecular FormulaC23H19ClF3N5
Molecular Weight457.89 g/mol
Exact Mass457.13
IUPAC Name4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine
SMILESNCC(c1ccc(C(F)(F)F)cc1)n1cc(-c2ccnc(N)c2-c2ccc(Cl)cc2)cn1
InChIInChI=1S/C23H19ClF3N5/c24-18-7-3-15(4-8-18)21-19(9-10-30-22(21)29)16-12-31-32(13-16)20(11-28)14-1-5-17(6-2-14)23(25,26)27/h1-10,12-13,20H,11,28H2,(H2,29,30)
InChIKeySATDRSJJODYVOL-UHFFFAOYSA-N
XLogP5.41
TPSA82.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.89
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]-3-fluoropyrazol-4-yl]-5-(4-chlorophenyl)pyrimidin-4-amine
CID 166495264
[4-[2-amino-3-(4-chlorophenyl)-4-pyridinyl]-1-(2-amino-1-phenylethyl)pyrazol-3-yl]methanol
CID 166495217
6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 89442472
6-[4-[(1S)-2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-(4-fluorophenyl)pyrimidin-4-amine
CID 71516648
6-[1-[(1R)-2-(dimethylamino)-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 166495257
[2-amino-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134618432
6-[1-[(1S)-2-azido-1-phenylethyl]pyrazol-4-yl]-5-(4-chlorophenyl)pyrimidin-4-amine
CID 175541583
6-[4-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]piperazin-1-yl]-5-(1H-pyrazol-4-yl)pyrimidin-4-amine
CID 78094598
2-(1-propan-2-ylpyrazol-4-yl)-5-(trifluoromethyl)aniline
CID 170835769
2-(4-phenylpyrazol-1-yl)-2-pyridin-2-ylethanamine
CID 62772186
6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-(2,4-difluorophenyl)imidazo[1,2-a]pyridine;6-[2-(4-chlorophenyl)pyrazol-3-yl]-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridine
CID 158794093
1-[4-(4-chlorophenyl)phenyl]ethane-1,2-diamine
CID 170894784

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine?
The IUPAC name of 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine (CID 175541570) is 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine.
What is the SMILES notation for 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine?
The canonical SMILES for 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine is NCC(c1ccc(C(F)(F)F)cc1)n1cc(-c2ccnc(N)c2-c2ccc(Cl)cc2)cn1.
What is the InChIKey of 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine?
The InChIKey is SATDRSJJODYVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClF3N5/c24-18-7-3-15(4-8-18)21-19(9-10-30-22(21)29)16-12-31-32(13-16)20(11-28)14-1-5-17(6-2-14)23(25,26)27/h1-10,12-13,20H,11,28H2,(H2,29,30).
What are the key properties of 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine?
4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine has a molecular weight of 457.89 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-amino-1-[4-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-3-(4-chlorophenyl)pyridin-2-amine is sourced from PubChem (CID 175541570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).