N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine

C11H7F4N3 — CID 149449035

IUPACN-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine
SMILESC=Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H7F4N3/c1-16-10-6-9(11(13,14)15)17-18(10)8-4-2-7(12)3-5-8/h2-6H,1H2
InChIKeyYXGJADDEVSKZKE-UHFFFAOYSA-N
MW257.19 g/mol
LogP3.36
Rot. Bonds2

About N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine

N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine (PubChem CID 149449035) has the molecular formula C11H7F4N3 and a molecular weight of 257.19 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine
PubChem CID149449035
Molecular FormulaC11H7F4N3
Molecular Weight257.19 g/mol
Exact Mass257.06
IUPAC NameN-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine
SMILESC=Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1
InChIInChI=1S/C11H7F4N3/c1-16-10-6-9(11(13,14)15)17-18(10)8-4-2-7(12)3-5-8/h2-6H,1H2
InChIKeyYXGJADDEVSKZKE-UHFFFAOYSA-N
XLogP3.36
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole
CID 66020948
1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 166817552
1-(4-fluorophenyl)-5-(furan-2-yl)-3-(trifluoromethyl)pyrazole
CID 155676510
5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole
CID 66022575
N-[4-[5-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanesulfonamide
CID 10524951
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]aniline
CID 19616585
1-(4-fluorophenyl)-5-methylsulfanyl-3-(trifluoromethyl)-1,2,4-triazole
CID 13162108
2-chloro-4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridine;4-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]pyridin-2-amine
CID 158641773
4-[5-(3,5-difluorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
CID 22315448
[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 87723682
3-tert-butyl-1-(4-fluorophenyl)-N-methylpyrazol-5-amine
CID 137395749
4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]benzoic acid
CID 18449039

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine?
The IUPAC name of N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine (CID 149449035) is N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine is C=Nc1cc(C(F)(F)F)nn1-c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine?
The InChIKey is YXGJADDEVSKZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N3/c1-16-10-6-9(11(13,14)15)17-18(10)8-4-2-7(12)3-5-8/h2-6H,1H2.
What are the key properties of N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine?
N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine has a molecular weight of 257.19 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanimine is sourced from PubChem (CID 149449035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).