N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline

C15H16F3N5 — CID 22493344

IUPACN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline
SMILESFC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)10-23-13(5-6-22-23)11-3-1-2-4-12(11)21-9-14-19-7-8-20-14/h1-6,21H,7-10H2,(H,19,20)
InChIKeyZWAHQJYEXSYDNK-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.53
Rot. Bonds5

About N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline

N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline (PubChem CID 22493344) has the molecular formula C15H16F3N5 and a molecular weight of 323.32 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline
PubChem CID22493344
Molecular FormulaC15H16F3N5
Molecular Weight323.32 g/mol
Exact Mass323.14
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline
SMILESFC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1
InChIInChI=1S/C15H16F3N5/c16-15(17,18)10-23-13(5-6-22-23)11-3-1-2-4-12(11)21-9-14-19-7-8-20-14/h1-6,21H,7-10H2,(H,19,20)
InChIKeyZWAHQJYEXSYDNK-UHFFFAOYSA-N
XLogP2.53
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline (CID 22493344) is N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline is FC(F)(F)Cn1nccc1-c1ccccc1NCC1=NCCN1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline?
The InChIKey is ZWAHQJYEXSYDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N5/c16-15(17,18)10-23-13(5-6-22-23)11-3-1-2-4-12(11)21-9-14-19-7-8-20-14/h1-6,21H,7-10H2,(H,19,20).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline?
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline has a molecular weight of 323.32 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]aniline is sourced from PubChem (CID 22493344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).