N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine

C14H14F2N4 — CID 176984928

IUPACN-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine
SMILESC=NN1CCc2cc(-c3cnn(C)c3)c(C(F)F)cc21
InChIInChI=1S/C14H14F2N4/c1-17-20-4-3-9-5-11(10-7-18-19(2)8-10)12(14(15)16)6-13(9)20/h5-8,14H,1,3-4H2,2H3
InChIKeyDTQBBOFCRDRUFF-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.00
Rot. Bonds3

About N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine

N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine (PubChem CID 176984928) has the molecular formula C14H14F2N4 and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine.

Molecular Properties

Compound NameN-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine
PubChem CID176984928
Molecular FormulaC14H14F2N4
Molecular Weight276.29 g/mol
Exact Mass276.12
IUPAC NameN-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine
SMILESC=NN1CCc2cc(-c3cnn(C)c3)c(C(F)F)cc21
InChIInChI=1S/C14H14F2N4/c1-17-20-4-3-9-5-11(10-7-18-19(2)8-10)12(14(15)16)6-13(9)20/h5-8,14H,1,3-4H2,2H3
InChIKeyDTQBBOFCRDRUFF-UHFFFAOYSA-N
XLogP3.00
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-methylpyrazol-3-yl)-6-(trifluoromethyl)-1H-indazole
CID 71735375
1-methyl-5-(2-(trifluoromethyl)phenyl)-1H-indazole
CID 90645458
US10155727, Example 50
CID 118864222
1-[[2-Fluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-2,3-dihydroindole
CID 71719153
USRE49517, Example 49
CID 118864453
1-Methyl-5-(3,3,3-trifluoropropyl)indazole
CID 138984664
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazol-4-amine;hydrochloride
CID 10394021
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-[[6-[cyclopentylmethyl(ethyl)amino]-2,3-dihydro-1H-inden-5-yl]methyl]-1-methylpyrazol-4-amine
CID 10394022
2-Methyl-1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-2-ium
CID 57573092
1-[4-Methyl-2-(trifluoromethyl)phenyl]pyrazole
CID 57691967
1-[2-Methyl-4-(trifluoromethyl)phenyl]pyrazole
CID 57691973
4-Methyl-2-[4-(trifluoromethyl)phenyl]indazole
CID 57718464

Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine?
The IUPAC name of N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine (CID 176984928) is N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine.
What is the SMILES notation for N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine?
The canonical SMILES for N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine is C=NN1CCc2cc(-c3cnn(C)c3)c(C(F)F)cc21.
What is the InChIKey of N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine?
The InChIKey is DTQBBOFCRDRUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4/c1-17-20-4-3-9-5-11(10-7-18-19(2)8-10)12(14(15)16)6-13(9)20/h5-8,14H,1,3-4H2,2H3.
What are the key properties of N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine?
N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine has a molecular weight of 276.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethyl)-5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-yl]methanimine is sourced from PubChem (CID 176984928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).