N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine

C13H12F3N5 — CID 12763821

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESFC(F)(F)c1cccc(-n2nccc2NC2=NCCN2)c1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)9-2-1-3-10(8-9)21-11(4-5-19-21)20-12-17-6-7-18-12/h1-5,8H,6-7H2,(H2,17,18,20)
InChIKeyOHAIJOIAZWGUEG-UHFFFAOYSA-N
MW295.27 g/mol
LogP2.26
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine

N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 12763821) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID12763821
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESFC(F)(F)c1cccc(-n2nccc2NC2=NCCN2)c1
InChIInChI=1S/C13H12F3N5/c14-13(15,16)9-2-1-3-10(8-9)21-11(4-5-19-21)20-12-17-6-7-18-12/h1-5,8H,6-7H2,(H2,17,18,20)
InChIKeyOHAIJOIAZWGUEG-UHFFFAOYSA-N
XLogP2.26
TPSA54.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-phenyl-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135408736
5-Amino-1-(3-methylphenyl)-1H-pyrazole-4-carbonitrile
CID 660367
N-(1-Imidazoline-2-ylmethyl)-2-[1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-yl]aniline
CID 22493344
1-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidine-4-thiol
CID 135600410
4-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 2764851
4-phenyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-5-amine
CID 4315883
2-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazole
CID 136118026
N-(1-methyl-1H-pyrazol-3-yl)-N'-[3-(trifluoromethyl)phenyl]urea
CID 971096
2-Methyl-4-(4-methylpiperazin-1-yl)-7-(trifluoromethyl)-2,10-dihydropyrazolo[3,4-b][1,5]benzodiazepine
CID 135759119
1-(4-Methylphenyl)-1H-pyrazol-5-amine
CID 21585111
4-(5-amino-1H-pyrazol-1-yl)benzonitrile
CID 43316774
1-(4-fluorophenyl)-1H-pyrazol-5-amine
CID 12763782

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 12763821) is N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine is FC(F)(F)c1cccc(-n2nccc2NC2=NCCN2)c1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is OHAIJOIAZWGUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N5/c14-13(15,16)9-2-1-3-10(8-9)21-11(4-5-19-21)20-12-17-6-7-18-12/h1-5,8H,6-7H2,(H2,17,18,20).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
N-(4,5-dihydro-1H-imidazol-2-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 295.27 g/mol, XLogP of 2.26, 2 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-yl)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 12763821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).