6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine

C13H13FN4 — CID 63291266

IUPAC6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1Cc1cnn(C)c1
InChIInChI=1S/C13H13FN4/c1-17-6-9(5-16-17)7-18-8-10-2-3-11(14)4-12(10)13(18)15/h2-6,15H,7-8H2,1H3/b15-13-
InChIKeySMEVCSINKVUXTE-SQFISAMPSA-N
MW244.27 g/mol
LogP1.90
Rot. Bonds2

About 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine

6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine (PubChem CID 63291266) has the molecular formula C13H13FN4 and a molecular weight of 244.27 g/mol. Its IUPAC name is 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
PubChem CID63291266
Molecular FormulaC13H13FN4
Molecular Weight244.27 g/mol
Exact Mass244.11
IUPAC Name6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1Cc1cnn(C)c1
InChIInChI=1S/C13H13FN4/c1-17-6-9(5-16-17)7-18-8-10-2-3-11(14)4-12(10)13(18)15/h2-6,15H,7-8H2,1H3/b15-13-
InChIKeySMEVCSINKVUXTE-SQFISAMPSA-N
XLogP1.90
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
CID 63291648
N-[2-(5-fluoro-3-imino-1H-isoindol-2-yl)ethyl]-N-methylcyclopropanamine
CID 63291269
2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
CID 63536640
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-methyl-N-propan-2-ylpropan-1-amine
CID 106033698
6-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3H-isoindol-1-imine
CID 106033688
6-fluoro-2-(3-methoxy-2-methylpropyl)-3H-isoindol-1-imine
CID 63291313
2-(3-ethyl-1-methylpyrazol-4-yl)-6-fluoro-3H-isoindol-1-imine
CID 107463466
3-(5-fluoro-3-imino-1H-isoindol-2-yl)-N-propylpropanamide
CID 63291837
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine
CID 63291528
2-(2,5-difluorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291429
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
2-(4-chlorophenyl)-6-fluoro-3H-isoindol-1-imine
CID 63291735

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine (CID 63291266) is 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1Cc1cnn(C)c1.
What is the InChIKey of 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine?
The InChIKey is SMEVCSINKVUXTE-SQFISAMPSA-N. The full InChI is InChI=1S/C13H13FN4/c1-17-6-9(5-16-17)7-18-8-10-2-3-11(14)4-12(10)13(18)15/h2-6,15H,7-8H2,1H3/b15-13-.
What are the key properties of 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine?
6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine has a molecular weight of 244.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine is sourced from PubChem (CID 63291266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).